computational molecular design of poss based hybrid semiconductors



Juergen Siepmann Computational Pharmaceutics. Application of Molecular Modeling in Drug Delivery Juergen Siepmann Computational Pharmaceutics. Application of Molecular Modeling in Drug Delivery Новинка

Juergen Siepmann Computational Pharmaceutics. Application of Molecular Modeling in Drug Delivery

11939.42 руб. или Купить в рассрочку!
Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.
D. Young C. Computational Drug Design. A Guide for Computational and Medicinal Chemists D. Young C. Computational Drug Design. A Guide for Computational and Medicinal Chemists Новинка

D. Young C. Computational Drug Design. A Guide for Computational and Medicinal Chemists

10108.95 руб. или Купить в рассрочку!
Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.
Kenneth Lipkowitz B. Reviews in Computational Chemistry Kenneth Lipkowitz B. Reviews in Computational Chemistry Новинка

Kenneth Lipkowitz B. Reviews in Computational Chemistry

14551.02 руб. или Купить в рассрочку!
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 29 include: Noncovalent Interactions in Density-Functional Theory Long-Range Inter-Particle Interactions: Insights from Molecular Quantum Electrodynamics (QED) Theory Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist Machine Learning in Materials Science: Recent Progress and Emerging Applications Discovering New Materials via a priori Crystal Structure Prediction Introduction to Maximally Localized Wannier Functions Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding
Elloumi Mourad Algorithms in Computational Molecular Biology. Techniques, Approaches and Applications Elloumi Mourad Algorithms in Computational Molecular Biology. Techniques, Approaches and Applications Новинка

Elloumi Mourad Algorithms in Computational Molecular Biology. Techniques, Approaches and Applications

13730.07 руб. или Купить в рассрочку!
This book represents the most comprehensive and up-to-date collection of information on the topic of computational molecular biology. Bringing the most recent research into the forefront of discussion, Algorithms in Computational Molecular Biology studies the most important and useful algorithms currently being used in the field, and provides related problems. It also succeeds where other titles have failed, in offering a wide range of information from the introductory fundamentals right up to the latest, most advanced levels of study.
Shaofan Li Multiscale Simulations and Mechanics of Biological Materials Shaofan Li Multiscale Simulations and Mechanics of Biological Materials Новинка

Shaofan Li Multiscale Simulations and Mechanics of Biological Materials

12684.89 руб. или Купить в рассрочку!
Multiscale Simulations and Mechanics of Biological Materials A compilation of recent developments in multiscale simulation and computational biomaterials written by leading specialists in the field Presenting the latest developments in multiscale mechanics and multiscale simulations, and offering a unique viewpoint on multiscale modelling of biological materials, this book outlines the latest developments in computational biological materials from atomistic and molecular scale simulation on DNA, proteins, and nano-particles, to meoscale soft matter modelling of cells, and to macroscale soft tissue and blood vessel, and bone simulations. Traditionally, computational biomaterials researchers come from biological chemistry and biomedical engineering, so this is probably the first edited book to present work from these talented computational mechanics researchers. The book has been written to honor Professor Wing Liu of Northwestern University, USA, who has made pioneering contributions in multiscale simulation and computational biomaterial in specific simulation of drag delivery at atomistic and molecular scale and computational cardiovascular fluid mechanics via immersed finite element method. Key features: Offers a unique interdisciplinary approach to multiscale biomaterial modelling aimed at both accessible introductory and advanced levels Presents a breadth of computational approaches for modelling biological materials across multiple length scales (molecular to whole-tissue scale), including solid and fluid based approaches A companion website for supplementary materials plus links to contributors’ websites (www.wiley.com/go/li/multiscale)
Kenny Lipkowitz B. Reviews in Computational Chemistry Kenny Lipkowitz B. Reviews in Computational Chemistry Новинка

Kenny Lipkowitz B. Reviews in Computational Chemistry

14994.19 руб. или Купить в рассрочку!
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces
Gisbert Schneider De novo Molecular Design Gisbert Schneider De novo Molecular Design Новинка

Gisbert Schneider De novo Molecular Design

15669.57 руб. или Купить в рассрочку!
Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more.
Rogers Donald W. Molecular Structure. Understanding Steric and Electronic Effects from Molecular Mechanics Rogers Donald W. Molecular Structure. Understanding Steric and Electronic Effects from Molecular Mechanics Новинка

Rogers Donald W. Molecular Structure. Understanding Steric and Electronic Effects from Molecular Mechanics

9203.67 руб. или Купить в рассрочку!
A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Ian Dunn S. Searching for Molecular Solutions. Empirical Discovery and Its Future Ian Dunn S. Searching for Molecular Solutions. Empirical Discovery and Its Future Новинка

Ian Dunn S. Searching for Molecular Solutions. Empirical Discovery and Its Future

11240.55 руб. или Купить в рассрочку!
A comprehensive look at empirical approaches to molecular discovery, their relationships with rational design, and the future of both Empirical methods of discovery, along with serendipitous and rational design approaches, have played an important role in human history. Searching for Molecular Solutions compares empirical discovery strategies for biologically useful molecules with serendipitous discovery and rational design, while also considering the strengths and limitations of empirical pathways to molecular discovery. Logically arranged, this text examines the different modes of molecular discovery, empha-sizing the historical and ongoing importance of empirical strategies. Along with a broad overview of the subject matter, Searching for Molecular Solutions explores: The differing modes of molecular discovery Biological precedents for evolutionary approaches Directed evolutionary methods and related areas Enzyme evolution and design Functional nucleic acid discovery Antibodies and other recognition molecules General aspects of molecular recognition Small molecule discovery approaches Rational molecular design The interplay between empirical and rational strategies and their ongoing roles in the future of molecular discovery Searching for Molecular Solutions covers several major areas of modern research, development, and practical applications of molecular sciences. This text offers empirical-rational principles of broad relevance to scientists, professionals, and students interested in general aspectsof molecular discovery, as well as the thought processes behind experimental approaches. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.
James Kubicki D. Molecular Modeling of Geochemical Reactions. An Introduction James Kubicki D. Molecular Modeling of Geochemical Reactions. An Introduction Новинка

James Kubicki D. Molecular Modeling of Geochemical Reactions. An Introduction

Molecular processes in nature affect human health, the availability of resources and the Earth’s climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: • Theory and Methods of Computational Chemistry • Force Field Application and Development • Computational Spectroscopy • Thermodynamics • Structure Determination • Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.
Mourad Elloumi Pattern Recognition in Computational Molecular Biology. Techniques and Approaches Mourad Elloumi Pattern Recognition in Computational Molecular Biology. Techniques and Approaches Новинка

Mourad Elloumi Pattern Recognition in Computational Molecular Biology. Techniques and Approaches

10446.38 руб. или Купить в рассрочку!
A comprehensive overview of high-performance pattern recognition techniques and approaches to Computational Molecular Biology This book surveys the developments of techniques and approaches on pattern recognition related to Computational Molecular Biology. Providing a broad coverage of the field, the authors cover fundamental and technical information on these techniques and approaches, as well as discussing their related problems. The text consists of twenty nine chapters, organized into seven parts: Pattern Recognition in Sequences, Pattern Recognition in Secondary Structures, Pattern Recognition in Tertiary Structures, Pattern Recognition in Quaternary Structures, Pattern Recognition in Microarrays, Pattern Recognition in Phylogenetic Trees, and Pattern Recognition in Biological Networks. Surveys the development of techniques and approaches on pattern recognition in biomolecular data Discusses pattern recognition in primary, secondary, tertiary and quaternary structures, as well as microarrays, phylogenetic trees and biological networks Includes case studies and examples to further illustrate the concepts discussed in the book Pattern Recognition in Computational Molecular Biology: Techniques and Approaches is a reference for practitioners and professional researches in Computer Science, Life Science, and Mathematics. This book also serves as a supplementary reading for graduate students and young researches interested in Computational Molecular Biology.
Xiaoyuan Chen Nanoplatform-Based Molecular Imaging Xiaoyuan Chen Nanoplatform-Based Molecular Imaging Новинка

Xiaoyuan Chen Nanoplatform-Based Molecular Imaging

16366.69 руб. или Купить в рассрочку!
The cutting-edge guide on advancing the science of molecular imaging using nanoparticles Nanoplathform-Based Molecular Imaging provides rationale for using nanoparticle-based probes for molecular imaging, then discusses general strategies for this underutilized, yet promising, technology. It addresses general strategies of particle synthesis and surface chemistry, applications in computed tomography optical imaging, magnetic resonance imaging, ultrasound, multimodality imaging, theranostics, and finally, the clinical perspectives of nanoimaging. This comprehensive volume summarizes the opinions of those in the forefront of research and describes the latest developments by emphasizing fundamentals and initiating hands-on application.
Frank Jensen Introduction to Computational Chemistry Frank Jensen Introduction to Computational Chemistry Новинка

Frank Jensen Introduction to Computational Chemistry

6626.33 руб. или Купить в рассрочку!
Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: * Polarizable force fields * Tight-binding DFT * More extensive DFT functionals, excited states and time dependent molecular properties * Accelerated Molecular Dynamics methods * Tensor decomposition methods * Cluster analysis * Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3
David Carrion Sanchez Hybrid Systems Based on Solid Oxide Fuel Cells. Modelling and Design David Carrion Sanchez Hybrid Systems Based on Solid Oxide Fuel Cells. Modelling and Design Новинка

David Carrion Sanchez Hybrid Systems Based on Solid Oxide Fuel Cells. Modelling and Design

10707.61 руб. или Купить в рассрочку!
A comprehensive guide to the modelling and design of solid oxide fuel cell hybrid power plants This book explores all technical aspects of solid oxide fuel cell (SOFC) hybrid systems and proposes solutions to a range of technical problems that can arise from component integration. Following a general introduction to the state-of-the-art in SOFC hybrid systems, the authors focus on fuel cell technology, including the components required to operate with standard fuels. Micro-gas turbine (mGT) technology for hybrid systems is discussed, with special attention given to issues related to the coupling of SOFCs with mGTs. Throughout the book emphasis is placed on dynamic issues, including control systems used to avoid risk conditions. With an eye to mitigating the high costs and risks incurred with the building and use of prototype hybrid systems, the authors demonstrate a proven, economically feasible approach to obtaining important experimental results using simplified plants that simulate both generic and detailed system-level behaviour using emulators. Computational models and experimental plants are developed to support the analysis of SOFC hybrid systems, including models appropriate for design, development and performance analysis at both component and system levels. Presents models for a range of size units, technology variations, unit coupling dynamics and start-up and shutdown behaviours Focuses on SOFCs integration with mGTs in light of key constraints and risk avoidance issues under steady-state conditions and during transient operations Identifies interaction and coupling problems within the GT/SOFC environment, including exergy analysis and optimization Demonstrates an economical approach to obtaining important experimental results while avoiding high-cost components and risk conditions Presents analytical/computational and experimental tools for the efficient design and development of hardware and software systems Hybrid Systems Based on Solid Oxide Fuel Cells: Modelling and Design is a valuable resource for researchers and practicing engineers involved in fuel cell fundamentals, design and development. It is also an excellent reference for academic researchers and advanced-level students exploring fuel cell technology.
Kenny Lipkowitz B. Reviews in Computational Chemistry Kenny Lipkowitz B. Reviews in Computational Chemistry Новинка

Kenny Lipkowitz B. Reviews in Computational Chemistry

17728.38 руб. или Купить в рассрочку!
This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 27 covers brittle fracture, molecular detailed simulations of lipid bilayers, semiclassical bohmian dynamics, dissipative particle dynamics, trajectory-based rare event simulations, and understanding metal/metal electrical contact conductance from the atomic to continuum scales. Also included is a chapter on career opportunities in computational chemistry and an appendix listing the e-mail addresses of more than 2500 people in that discipline. FROM REVIEWS OF THE SERIES «Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry.» —JOURNAL OF MOLECULAR GRAPHICS AND MODELLING «One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general).» —JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Kühn Oliver Charge and Energy Transfer Dynamics in Molecular Systems Kühn Oliver Charge and Energy Transfer Dynamics in Molecular Systems Новинка

Kühn Oliver Charge and Energy Transfer Dynamics in Molecular Systems

16219.58 руб. или Купить в рассрочку!
This second edition is based on the successful concept of the first edition in presenting a unified perspective on molecular charge and energy transfer processes. The authors bridge the regimes of coherent and dissipative dynamics, thus establishing the connection between classic rate theories and modern treatments of ultrafast phenomena. The book serves as an introduction for graduate students and researchers. Among the new topics of this second edition are – semiclassical and quantum-classical hybrid formulations of molecular dynamics – the basics of femtosecond nonlinear spectroscopy – electron transfer through molecular bridges and proteins – multidimensional tunneling in proton transfer reactions – two-exciton states and exciton annihilation in biological and nonbiological chromophore complexes More illustrating examples as well as an enlarged reference list are added. A new chapter gives an introduction into the theory of laser pulse control of molecular transfer processes.
Sandra Gemma Structure-based Design of Drugs and Other Bioactive Molecules. Tools and Strategies Sandra Gemma Structure-based Design of Drugs and Other Bioactive Molecules. Tools and Strategies Новинка

Sandra Gemma Structure-based Design of Drugs and Other Bioactive Molecules. Tools and Strategies

Drug design is a complex, challenging and innovative research area. Structure-based molecular design has transformed the drug discovery approach in modern medicine. Traditionally, focus has been placed on computational, structural or synthetic methods only in isolation. This one-of-akind guide integrates all three skill sets for a complete picture of contemporary structure-based design. This practical approach provides the tools to develop a high-affinity ligand with drug-like properties for a given drug target for which a high-resolution structure exists. The authors use numerous examples of recently developed drugs to present «best practice» methods in structurebased drug design with both newcomers and practicing researchers in mind. By way of a carefully balanced mix of theoretical background and case studies from medicinal chemistry applications, readers will quickly and efficiently master the basic skills of successful drug design. This book is aimed at new and active medicinal chemists, biochemists, pharmacologists, natural product chemists and those working in drug discovery in the pharmaceutical industry. It is highly recommended as a desk reference to guide students in medicinal and chemical sciences as well as to aid researchers engaged in drug design today.
Gil Alterovitz Automation in Proteomics and Genomics. An Engineering Case-Based Approach Gil Alterovitz Automation in Proteomics and Genomics. An Engineering Case-Based Approach Новинка

Gil Alterovitz Automation in Proteomics and Genomics. An Engineering Case-Based Approach

13133.01 руб. или Купить в рассрочку!
In the last decade DNA sequencing costs have decreased over a magnitude, largely because of increasing throughput by incremental advances in tools, technologies and process improvements. Further cost reductions in this and in related proteomics technologies are expected as a result of the development of new high-throughput techniques and the computational machinery needed to analyze data generated. Automation in Proteomics & Genomics: An Engineering Case-Based Approach describes the automation technology currently in the areas of analysis, design, and integration, as well as providing basic biology concepts behind proteomics and genomics. The book also discusses the current technological limitations that can be viewed as an emerging market rather than a research bottleneck. Topics covered include: molecular biology fundamentals: from ‘blueprint’ (DNA) to ‘task list’ (RNA) to ‘molecular machine’ (protein); proteomics methods and technologies; modelling protein networks and interactions analysis via automation: DNA sequencing; microarrays and other parallelization technologies; protein characterization and identification; protein interaction and gene regulatory networks design via automation: DNA synthesis; RNA by design; building protein libraries; synthetic networks integration: multiple modalities; computational and experimental methods; trends in automation for genomics and proteomics new enabling technologies and future applications Automation in Proteomics & Genomics: An Engineering Case-Based Approach is an essential guide to the current capabilities and challenges of high-throughput analysis of genes and proteins for bioinformaticians, engineers, chemists, and biologists interested in developing a cross-discipline problem-solving based approach to systems biology.
Egbert Torenbeek Advanced Aircraft Design. Conceptual Design, Technology and Optimization of Subsonic Civil Airplanes Egbert Torenbeek Advanced Aircraft Design. Conceptual Design, Technology and Optimization of Subsonic Civil Airplanes Новинка

Egbert Torenbeek Advanced Aircraft Design. Conceptual Design, Technology and Optimization of Subsonic Civil Airplanes

9731.75 руб. или Купить в рассрочку!
Although the overall appearance of modern airliners has not changed a lot since the introduction of jetliners in the 1950s, their safety, efficiency and environmental friendliness have improved considerably. Main contributors to this have been gas turbine engine technology, advanced materials, computational aerodynamics, advanced structural analysis and on-board systems. Since aircraft design became a highly multidisciplinary activity, the development of multidisciplinary optimization (MDO) has become a popular new discipline. Despite this, the application of MDO during the conceptual design phase is not yet widespread. Advanced Aircraft Design: Conceptual Design, Analysis and Optimization of Subsonic Civil Airplanes presents a quasi-analytical optimization approach based on a concise set of sizing equations. Objectives are aerodynamic efficiency, mission fuel, empty weight and maximum takeoff weight. Independent design variables studied include design cruise altitude, wing area and span and thrust or power loading. Principal features of integrated concepts such as the blended wing and body and highly non-planar wings are also covered. The quasi-analytical approach enables designers to compare the results of high-fidelity MDO optimization with lower-fidelity methods which need far less computational effort. Another advantage to this approach is that it can provide answers to “what if” questions rapidly and with little computational cost. Key features: Presents a new fundamental vision on conceptual airplane design optimization Provides an overview of advanced technologies for propulsion and reducing aerodynamic drag Offers insight into the derivation of design sensitivity information Emphasizes design based on first principles Considers pros and cons of innovative configurations Reconsiders optimum cruise performance at transonic Mach numbers Advanced Aircraft Design: Conceptual Design, Analysis and Optimization of Subsonic Civil Airplanes advances understanding of the initial optimization of civil airplanes and is a must-have reference for aerospace engineering students, applied researchers, aircraft design engineers and analysts.
Peter Comba Modeling of Molecular Properties Peter Comba Modeling of Molecular Properties Новинка

Peter Comba Modeling of Molecular Properties

14861.66 руб. или Купить в рассрочку!
Molecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to large biological molecules and materials. With its comprehensive coverage of important research fields in molecular and materials science, this is a must-have for all organic, inorganic and biochemists as well as materials scientists interested in applied theoretical and computational chemistry. The 28 chapters, written by an international group of experienced theoretically oriented chemists, are grouped into four parts: Theory and Concepts; Applications in Homogeneous Catalysis; Applications in Pharmaceutical and Biological Chemistry; and Applications in Main Group, Organic and Organometallic Chemistry. The various chapters include concept papers, tutorials, and research reports.
Yuriy Abramov A. Computational Pharmaceutical Solid State Chemistry Yuriy Abramov A. Computational Pharmaceutical Solid State Chemistry Новинка

Yuriy Abramov A. Computational Pharmaceutical Solid State Chemistry

11189.01 руб. или Купить в рассрочку!
This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications. • Provides descriptive and applied state-of-the-art computational approaches and workflows to guide pharmaceutical solid state chemistry experiments and to support/troubleshoot API solid state selection • Includes real industrial case examples related to application of modeling methods in problem solving • Useful as a supplementary reference/text for undergraduate, graduate and postgraduate students in computational chemistry, pharmaceutical and biotech sciences, and materials science
Nuno Silvestre Advanced Computational Nanomechanics Nuno Silvestre Advanced Computational Nanomechanics Новинка

Nuno Silvestre Advanced Computational Nanomechanics

9582.69 руб. или Купить в рассрочку!
Contains the latest research advances in computational nanomechanics in one comprehensive volume Covers computational tools used to simulate and analyse nanostructures Includes contributions from leading researchers Covers of new methodologies/tools applied to computational nanomechanics whilst also giving readers the new findings on carbon-based aggregates (graphene, carbon-nanotubes, nanocomposites) Evaluates the impact of nanoscale phenomena in materials
Konrad Szacilowski Infochemistry. Information Processing at the Nanoscale Konrad Szacilowski Infochemistry. Information Processing at the Nanoscale Новинка

Konrad Szacilowski Infochemistry. Information Processing at the Nanoscale

13277.43 руб. или Купить в рассрочку!
Infochemistry: Information Processing at the Nanoscale, defines a new field of science, and describes the processes, systems and devices at the interface between chemistry and information sciences. The book is devoted to the application of molecular species and nanostructures to advanced information processing. It includes the design and synthesis of suitable materials and nanostructures, their characterization, and finally applications of molecular species and nanostructures for information storage and processing purposes. Divided into twelve chapters; the first three chapters serve as an introduction to the basic concepts of digital information processing, its development, limitations and finally introduces some alternative concepts for prospective technologies. Chapters four and five discuss traditional low-dimensional metals and semiconductors and carbon nanostructures respectively, while further chapters discuss Photoelectrochemical photocurrent switching and related phenomena and self-organization and self-assembly. Chapters eight, nine and ten discuss information processing at the molecular level, and eleven describes information processing in natural systems. The book concludes with a discussion of the future prospects for the field. Further topics: Traditional electronic device development is rapidly approaching a limit, so molecular scale information processing is critical in order to meet increasing demand for high computational power Characterizes chemical systems not according to their chemical nature, but according to their role as prospective information technology elements Covers the application of molecular species and nanostructures as molecular scale logic gates, switches, memories, and complex computing devices This book will be of particular interest to researchers in nanoelectronics, organic electronics, optoelectronics, chemistry and materials science.
Anne Kelley Myers Condensed-Phase Molecular Spectroscopy and Photophysics Anne Kelley Myers Condensed-Phase Molecular Spectroscopy and Photophysics Новинка

Anne Kelley Myers Condensed-Phase Molecular Spectroscopy and Photophysics

10335.27 руб. или Купить в рассрочку!
An introduction to one of the fundamental tools in chemical research—spectroscopy and photophysics in condensed-phase and extended systems A great deal of modern research in chemistry and materials science involves the interaction of radiation with condensed-phase systems such as molecules in liquids and solids as well as molecules in more complex media, molecular aggregates, metals, semiconductors, and composites. Condensed-Phase Molecular Spectroscopy and Photophysics was developed to fill the need for a textbook that introduces the basics of traditional molecular spectroscopy with a strong emphasis on condensed-phase systems. It also examines optical processes in extended systems such as metals, semiconductors, and conducting polymers, and addresses the unique optical properties of nanoscale systems. Condensed-Phase Molecular Spectroscopy and Photophysics begins with an introduction to quantum mechanics that sets a solid foundation for understanding the text's subsequent topics, including: Electromagnetic radiation and radiation-matter interactions Molecular vibrations and infrared spectroscopy Electronic spectroscopy Photophysical processes and light scattering Nonlinear and pump-probe spectroscopies Electron transfer processes Each chapter contains problems ranging from simple to complex, enabling readers to gradually build their skills and problem-solving abilities. Written for upper-level undergraduate and graduate courses in physical and materials chemistry, this text is uniquely designed to equip readers to solve a broad array of current problems and challenges in chemistry.
Ko Ker-I Theory of Computational Complexity Ko Ker-I Theory of Computational Complexity Новинка

Ko Ker-I Theory of Computational Complexity

9731.75 руб. или Купить в рассрочку!
Praise for the First Edition «…complete, up-to-date coverage of computational complexity theory…the book promises to become the standard reference on computational complexity.» -Zentralblatt MATH A thorough revision based on advances in the field of computational complexity and readers’ feedback, the Second Edition of Theory of Computational Complexity presents updates to the principles and applications essential to understanding modern computational complexity theory. The new edition continues to serve as a comprehensive resource on the use of software and computational approaches for solving algorithmic problems and the related difficulties that can be encountered. Maintaining extensive and detailed coverage, Theory of Computational Complexity, Second Edition, examines the theory and methods behind complexity theory, such as computational models, decision tree complexity, circuit complexity, and probabilistic complexity. The Second Edition also features recent developments on areas such as NP-completeness theory, as well as: A new combinatorial proof of the PCP theorem based on the notion of expander graphs, a research area in the field of computer science Additional exercises at varying levels of difficulty to further test comprehension of the presented material End-of-chapter literature reviews that summarize each topic and offer additional sources for further study Theory of Computational Complexity, Second Edition, is an excellent textbook for courses on computational theory and complexity at the graduate level. The book is also a useful reference for practitioners in the fields of computer science, engineering, and mathematics who utilize state-of-the-art software and computational methods to conduct research. A thorough revision based on advances in the field of computational complexity and readers’feedback, the Second Edition of Theory of Computational Complexity presents updates to theprinciples and applications essential to understanding modern computational complexitytheory. The new edition continues to serve as a comprehensive resource on the use of softwareand computational approaches for solving algorithmic problems and the related difficulties thatcan be encountered.Maintaining extensive and detailed coverage, Theory of Computational Complexity, SecondEdition, examines the theory and methods behind complexity theory, such as computationalmodels, decision tree complexity, circuit complexity, and probabilistic complexity. The SecondEdition also features recent dev
Amir Khajepour Electric and Hybrid Vehicles. Technologies, Modeling and Control - A Mechatronic Approach Amir Khajepour Electric and Hybrid Vehicles. Technologies, Modeling and Control - A Mechatronic Approach Новинка

Amir Khajepour Electric and Hybrid Vehicles. Technologies, Modeling and Control - A Mechatronic Approach

10819.46 руб. или Купить в рассрочку!
An advanced level introductory book covering fundamental aspects, design and dynamics of electric and hybrid electric vehicles There is significant demand for an understanding of the fundamentals, technologies, and design of electric and hybrid electric vehicles and their components from researchers, engineers, and graduate students. Although there is a good body of work in the literature, there is still a great need for electric and hybrid vehicle teaching materials. Electric and Hybrid Vehicles: Technologies, Modeling and Control – A Mechatronic Approach is based on the authors’ current research in vehicle systems and will include chapters on vehicle propulsion systems, the fundamentals of vehicle dynamics, EV and HEV technologies, chassis systems, steering control systems, and state, parameter and force estimations. The book is highly illustrated, and examples will be given throughout the book based on real applications and challenges in the automotive industry. Designed to help a new generation of engineers needing to master the principles of and further advances in hybrid vehicle technology Includes examples of real applications and challenges in the automotive industry with problems and solutions Takes a mechatronics approach to the study of electric and hybrid electric vehicles, appealing to mechanical and electrical engineering interests Responds to the increase in demand of universities offering courses in newer electric vehicle technologies
Mark Gordon S. Fragmentation: Toward Accurate Calculations on Complex Molecular Systems Mark Gordon S. Fragmentation: Toward Accurate Calculations on Complex Molecular Systems Новинка

Mark Gordon S. Fragmentation: Toward Accurate Calculations on Complex Molecular Systems

11192.55 руб. или Купить в рассрочку!
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.
Haddad El Rabey Molecular phylogeny of some species of the genus Hordeum L Haddad El Rabey Molecular phylogeny of some species of the genus Hordeum L Новинка

Haddad El Rabey Molecular phylogeny of some species of the genus Hordeum L

Genetic and phylogenetic relationships of some egyptian Hordeum species were studied based on morphology, cytology, and molecular evidences. The Molecular evidences were AFLP and ITS sequence. Several AFLP bands from different species were sequenced in order to compare the sequence of the same band present in different species. Phylogeny trees were reconstructed for the studied species based on the studied data. All resulted trees were consisted with each other and emphasized the four genome theory of the genus Hordeum.
Roosa Laitinen Molecular Mechanisms in Plant Adaptation Roosa Laitinen Molecular Mechanisms in Plant Adaptation Новинка

Roosa Laitinen Molecular Mechanisms in Plant Adaptation

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Plants are forced to adapt for a variety of reasons— protection, reproductive viability, and environmental and climatic changes. Computational tools and molecular advances have provided researchers with significant new insights into the molecular basis of plant adaptation. Molecular Mechanisms in Plant Adaptation provides a comprehensive overview of a wide variety of these different mechanisms underlying adaptation to these challenges to plant survival. Molecular Mechanisms in Plant Adaptation opens with a chapter that explores the latest technological advances used in plant adaptation research, providing readers with an overview of high-throughput technologies and their applications. The chapters that follow cover the latest developments on using natural variation to dissect genetic, epigenetic and metabolic responses of plant adaptation. Subsequent chapters describe plant responses to biotic and abiotic stressors and adaptive reproductive strategies. Emerging topics such as secondary metabolism, small RNA mediated regulation as well as cell type specific responses to stresses are given special precedence. The book ends with chapters introducing computational approaches to study adaptation and focusing on how to apply laboratory findings to field studies and breeding programs. Molecular Mechanisms in Plant Adaptation interest plant molecular biologists and physiologists, plant stress biologists, plant geneticists and advanced plant biology students.
Lukas Brausch XML3D based Molecular Structure Visualization using BALLView and Ballaxy Lukas Brausch XML3D based Molecular Structure Visualization using BALLView and Ballaxy Новинка

Lukas Brausch XML3D based Molecular Structure Visualization using BALLView and Ballaxy

Bachelor Thesis from the year 2014 in the subject Computer Science - Applied, grade: 1,3, Saarland University, language: English, abstract: The field of molecular visualization is an important part of biology, chemistry, medical computer science and bioinformatics. Molecular visualizations can help scientists to gain a better understanding of underlying mechanisms of molecular structures, even for large sets of data. With this thesis, we aim at bringing molecular visualizations to the browser. In order to achieve this goal, this thesis introduces a new online visualization tool for the web-based molecular structure analysis system ballaxy. Ballaxy is a customized version of the popular molecular data analysis and workflow system Galaxy and relies on the Biochemical Algorithms Library (BALL) framework. This framework provides molecular modeling functionality for structural bioinformatics.This new ballaxy tool equips scientists with a small and handy application to visualize molecular structures directly in the browser without forcing them to use any additional tools or browser plugins. It makes use of the HTML extension XML3D to render molecular visualizations in the browser and optimizes the already existing XML3D export feature available in BALL and its accompanied molecular visualization tool BALLView.The implementation of this optimization exploits XML3D features, which have been added to the XML3D library only recently. It removes many redundancies in the resulting docume...
Kenneth Lipkowitz B. Reviews in Computational Chemistry Kenneth Lipkowitz B. Reviews in Computational Chemistry Новинка

Kenneth Lipkowitz B. Reviews in Computational Chemistry

22012.01 руб. или Купить в рассрочку!
The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise
Bässler Heinz Electronic Processes in Organic Semiconductors. An Introduction Bässler Heinz Electronic Processes in Organic Semiconductors. An Introduction Новинка

Bässler Heinz Electronic Processes in Organic Semiconductors. An Introduction

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The first advanced textbook to provide a useful introduction in a brief, coherent and comprehensive way, with a focus on the fundamentals. After having read this book, students will be prepared to understand any of the many multi-authored books available in this field that discuss a particular aspect in more detail, and should also benefit from any of the textbooks in photochemistry or spectroscopy that concentrate on a particular mechanism. Based on a successful and well-proven lecture course given by one of the authors for many years, the book is clearly structured into four sections: electronic structure of organic semiconductors, charged and excited states in organic semiconductors, electronic and optical properties of organic semiconductors, and fundamentals of organic semiconductor devices.
Arieh Warshel Theory and Applications of the Empirical Valence Bond Approach. From Physical Chemistry to Chemical Biology Arieh Warshel Theory and Applications of the Empirical Valence Bond Approach. From Physical Chemistry to Chemical Biology Новинка

Arieh Warshel Theory and Applications of the Empirical Valence Bond Approach. From Physical Chemistry to Chemical Biology

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A comprehensive overview of current empirical valence bond (EVB) theory and applications, one of the most powerful tools for studying chemical processes in the condensed phase and in enzymes. Discusses the application of EVB models to a broad range of molecular systems of chemical and biological interest, including reaction dynamics, design of artificial catalysts, and the study of complex biological problems Edited by a rising star in the field of computational enzymology Foreword by Nobel laureate Arieh Warshel, who first developed the EVB approach
Richard Catlow Computational Approaches to Energy Materials Richard Catlow Computational Approaches to Energy Materials Новинка

Richard Catlow Computational Approaches to Energy Materials

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The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process. Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the development and optimization of energy materials, outlining their strengths, limitations, and future applications. The review of techniques includes current methodologies based on electronic structure, interatomic potential and hybrid methods. The methodological components are integrated into a comprehensive survey of applications, addressing the major themes in energy research. Topics covered include: • Introduction to computational methods and approaches • Modelling materials for energy generation applications: solar energy and nuclear energy • Modelling materials for storage applications: batteries and hydrogen • Modelling materials for energy conversion applications: fuel cells, heterogeneous catalysis and solid-state lighting • Nanostructures for energy applications This full colour text is an accessible introduction for newcomers to the field, and a valuable reference source for experienced researchers working on computational techniques and their application to energy materials.
Camilo Olaya Social Systems Engineering. The Design of Complexity Camilo Olaya Social Systems Engineering. The Design of Complexity Новинка

Camilo Olaya Social Systems Engineering. The Design of Complexity

Uniquely reflects an engineering view to social systems in a wide variety of contexts of application Social Systems Engineering: The Design of Complexity brings together a wide variety of application approaches to social systems from an engineering viewpoint. The book defines a social system as any complex system formed by human beings. Focus is given to the importance of systems intervention design for specific and singular settings, the possibilities of engineering thinking and methods, the use of computational models in particular contexts, and the development of portfolios of solutions. Furthermore, this book considers both technical, human and social perspectives, which are crucial to solving complex problems. Social Systems Engineering: The Design of Complexity provides modelling examples to explore the design aspect of social systems. Various applications are explored in a variety of areas, such as urban systems, health care systems, socio-economic systems, and environmental systems. It covers important topics such as organizational design, modelling and intervention in socio-economic systems, participatory and/or community-based modelling, application of systems engineering tools to social problems, applications of computational behavioral modeling, computational modelling and management of complexity, and more. Highlights an engineering view to social systems (as opposed to a “scientific” view) that stresses the importance of systems intervention design for specific and singular settings Divulges works where the design, re-design, and transformation of social systems constitute the main aim, and where joint considerations of both technical and social perspectives are deemed important in solving social problems Features an array of applied cases that illustrate the application of social systems engineering in different domains Social Systems Engineering: The Design of Complexity is an excellent text for academics and graduate students in engineering and social science—specifically, economists, political scientists, anthropologists, and management scientists with an interest in finding systematic ways to intervene and improve social systems.
Chen Ling Design and Construction of Coordination Polymers Chen Ling Design and Construction of Coordination Polymers Новинка

Chen Ling Design and Construction of Coordination Polymers

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Design and Construction of Coordination Polymers Edited by Mao-Chun Hong Ling Chen A Unique Resource on coordination Polymers Coordination polymers are a growing, interdisciplinary field with numerous potential applications in chemistry and materials. Design and Construction of Coordination Polymers provides a comprehensive introduction to this field, focusing on synthetic strategies, structures, properties, and potential applications. Each chapter provides a unique perspective on coordination polymers, offering a dedicated approach as well as deeper insights on the most important facets of this interdisciplinary area. Combining the consistent editorial approach of a textbook with the up-to-date data and topics usually found in the latest monographs and handbooks, Design and Construction of Coordination Polymers offers an unparalleled reference to the state of the art. Among other topics, it covers: Coordination polymers with versatile structures Crystal engineering of coordination polymers Organic/inorganic hybrid complexes based on polyoxometalates Molecular-based magnetic and ferroelectric compounds Heavy main-group iodometalates Gas storage MOFs Bioinorganic coordination complexes Addressing a wide range of readers, Design and Construction of Coordination Polymers will prove an invaluable resource to everyone from senior-level undergraduate and graduate students to working scientists.
Terri Peters Inside Smartgeometry. Expanding the Architectural Possibilities of Computational Design Terri Peters Inside Smartgeometry. Expanding the Architectural Possibilities of Computational Design Новинка

Terri Peters Inside Smartgeometry. Expanding the Architectural Possibilities of Computational Design

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Smartgeometry (SG) is a key influence on the architectural community who explore creative computational methods for the design of buildings. An informal international network of practitioners and researchers, the group meets annually to experiment with new technologies and collaborate to develop digital design techniques. When SG was founded in 2001 by London-based architects and friends Hugh Whitehead (Foster + Partners), J Parrish (AECOM) and Lars Hesselgren (PLP), there was little in the way of parametric tools for architecture. SG was founded to encourage the development, discussion and experimentation of digital design techniques driven by design intent rather than on construction specifications. SG calls for a re-consideration of the design process, where the creation of computational mechanisms become an integral part of designing – not a task done prior to or separate from the process. In the early years of the workshops this need for new ways of design thinking led to the development of Bentley´s GenerativeComponents software. In recent years, the ecology of these design environments has diversified to include multiple software platforms, as well as innovative fabrication techniques and interactive environments. SG has grown accordingly from a handful of experts to an international network of designers who are defining the future of design. Founded by digital pioneers, it creates the algorithmic designers of the future. Inside Smartgeometry can be seen as a retroactive manifesto for SG, examining and contextualising the work of the SG community: the digital spaces, prototypes and buildings designed using bespoke tools created in response to architectural ideas. From interactive crowd-sourcing tools to responsive agent-based systems to complex digitally fabricated structures, it explores more than a decade of advances that have been influential for architecture. Through 23 original texts including reflections by the founders, and key contributors such as Robert Aish, Martin Bechthold, Mark Burry, Chris Williams and Robert Woodbury, the book offers a critical state of the art of computational design for architecture. Many international design and engineering firms have participated in SG and the book includes chapters by practitioners from offices such as CASE, Design2Production, Foster + Partners, Grimshaw, Populous and SOM.
Har Jason Advances in Computational Dynamics of Particles, Materials and Structures Har Jason Advances in Computational Dynamics of Particles, Materials and Structures Новинка

Har Jason Advances in Computational Dynamics of Particles, Materials and Structures

14861.66 руб. или Купить в рассрочку!
Computational methods for the modeling and simulation of the dynamic response and behavior of particles, materials and structural systems have had a profound influence on science, engineering and technology. Complex science and engineering applications dealing with complicated structural geometries and materials that would be very difficult to treat using analytical methods have been successfully simulated using computational tools. With the incorporation of quantum, molecular and biological mechanics into new models, these methods are poised to play an even bigger role in the future. Advances in Computational Dynamics of Particles, Materials and Structures not only presents emerging trends and cutting edge state-of-the-art tools in a contemporary setting, but also provides a unique blend of classical and new and innovative theoretical and computational aspects covering both particle dynamics, and flexible continuum structural dynamics applications. It provides a unified viewpoint and encompasses the classical Newtonian, Lagrangian, and Hamiltonian mechanics frameworks as well as new and alternative contemporary approaches and their equivalences in [start italics]vector and scalar formalisms[end italics] to address the various problems in engineering sciences and physics. Highlights and key features Provides practical applications, from a unified perspective, to both particle and continuum mechanics of flexible structures and materials Presents new and traditional developments, as well as alternate perspectives, for space and time discretization Describes a unified viewpoint under the umbrella of Algorithms by Design for the class of linear multi-step methods Includes fundamentals underlying the theoretical aspects and numerical developments, illustrative applications and practice exercises The completeness and breadth and depth of coverage makes Advances in Computational Dynamics of Particles, Materials and Structures a valuable textbook and reference for graduate students, researchers and engineers/scientists working in the field of computational mechanics; and in the general areas of computational sciences and engineering.
DPT Collective From Print to Ebooks. A Hybrid Publishing Toolkit for the Arts DPT Collective From Print to Ebooks. A Hybrid Publishing Toolkit for the Arts Новинка

DPT Collective From Print to Ebooks. A Hybrid Publishing Toolkit for the Arts

This Toolkit is meant for everyone working in art and design publishing. No specific expertise of digital technology, or indeed traditional publishing technology, is required. The Toolkit provides hands-on practical advice and tools, focusing on working solutions for low-budget, small-edition publishing.Everything in the Hybrid Publishing Toolkit is based on real-world projects with art and design publishers. Editorial scenarios include art and design catalogues and periodicals, research publications, and artists'/designer's books.
Dileep Singh Developments in Strategic Materials and Computational Design II Dileep Singh Developments in Strategic Materials and Computational Design II Новинка

Dileep Singh Developments in Strategic Materials and Computational Design II

6711.99 руб. или Купить в рассрочку!
This book is a collection of papers from The American Ceramic Society's 35th International Conference on Advanced Ceramics and Composites, held in Daytona Beach, Florida, January 23-28, 2011. This issue includes papers presented in the Thermal Management Materials and Technologies; Advanced Sensor Technology; Geopolymers; and Computational Design, Modeling, and Simulation of Ceramics and Composites symposia.
Nagarjuna V. Low Power, Low Area and High Performance Hybrid CAM Design Nagarjuna V. Low Power, Low Area and High Performance Hybrid CAM Design Новинка

Nagarjuna V. Low Power, Low Area and High Performance Hybrid CAM Design

This project contains advanced feature of memory design, which is Content Addressable memory(CAM). This design is mainly used for improving performance and speed of the design. It uses NAND type and NOR type CAM design for improving performance and speed of the design. By combining both both NAND and NOR type design, a HYBRID cam design has been designed to improve performance and speed of the design.
Keller Andreas Nucleic Acids as Molecular Diagnostics Keller Andreas Nucleic Acids as Molecular Diagnostics Новинка

Keller Andreas Nucleic Acids as Molecular Diagnostics

10184.39 руб. или Купить в рассрочку!
By integrating technology, supporting infrastructure and efficient application, the all-in-one guide presents molecular diagnostics as an essential component of modern, personalized clinical practice. It considers all important aspects, from the hardware and software needed, to recent improvements in blood- and non-blood-based biomarker tests. Chapters on ethical challenges and a look at current trends and the latest innovations are also included. Bridging the gap between industry and academia, this is a highly useful resource for practitioners as well as for developers of modern, DNA- and RNA-based molecular diagnostics.
Sarkar Souradip Network on Chip Based Hardware Accelerators for Computational Biology Sarkar Souradip Network on Chip Based Hardware Accelerators for Computational Biology Новинка

Sarkar Souradip Network on Chip Based Hardware Accelerators for Computational Biology

The focus of this work is the design and performance evaluation of Network on Chip (NoC) based multi-core hardware accelerators for computational biology. Sequence analysis and phylogenetic reconstruction are the two problems in this domain which have been addressed here. An effective approach to speed up such operations is to integrate a very high number of processing elements in a single chip so that the massive scales of fine-grain parallelism inherent in this application can be exploited efficiently. Network-on-Chip (NoC) is a very efficient method to achieve such large scale integration. Specifically, we (i) propose optimized NoC architectures for different sequence alignment algorithms that were originally designed for distributed memory parallel computers, (ii) a custom NoC architecture for solving the breakpoint phylogeny problem (iii) provide a thorough comparative evaluation of their respective performance and energy dissipation.
Guo Zhongwu Carbohydrate-Based Vaccines and Immunotherapies Guo Zhongwu Carbohydrate-Based Vaccines and Immunotherapies Новинка

Guo Zhongwu Carbohydrate-Based Vaccines and Immunotherapies

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The fundamental science and the latest developments in carbohydrate-based vaccines The relatively new field of glycoimmunology has emerged from the marriage of glycobiology and immunology, in recognition of the important role carbohydrates play as antigenic determinants. Carbohydrate-Based Vaccines and Immunotherapies comprehensively reviews the state of this exciting field, offering a single source for both the fundamental science and the latest developments. With contributions by leading experts, this resource covers the design, synthesis, evaluation, and applications of various carbohydrate-based vaccines, including polysaccharides, neoglycoproteins, and neoglycolipids. The text approaches vaccine design from a chemical and molecular focus, staying in line with current advances. Key topics covered by Carbohydrate-Based Vaccines and Immunotherapies include: Recent developments towards clinically useful vaccines against bacteria, viruses, parasites, and fungi Using adjuvants to improve immunogenicity and/or immunological properties of vaccines Choosing and designing proper adjuvants for specific targets Abnormal carbohydrates expressed by tumors Carbohydrate-based therapeutic cancer vaccines or cancer immunotherapy Clinical trials results for synthetic cancer vaccines Glycoengineering of cell surface carborhydrates and its anticancer applications Using cell surface carbohydrates for disease diagnosis A single, convenient source of state-of-the-art information from leading authorities in the field, Carbohydrate-Based Vaccines and Immunotherapies is an essential reference for organic chemists and biochemists, academic researchers, and other students and professionals involved in vaccine design.
Jie Liang Models and Algorithms for Biomolecules and Molecular Networks Jie Liang Models and Algorithms for Biomolecules and Molecular Networks Новинка

Jie Liang Models and Algorithms for Biomolecules and Molecular Networks

8580.95 руб. или Купить в рассрочку!
By providing expositions to modeling principles, theories, computational solutions, and open problems, this reference presents a full scope on relevant biological phenomena, modeling frameworks, technical challenges, and algorithms. Up-to-date developments of structures of biomolecules, systems biology, advanced models, and algorithms Sampling techniques for estimating evolutionary rates and generating molecular structures Accurate computation of probability landscape of stochastic networks, solving discrete chemical master equations End-of-chapter exercises
Christian Derix Empathic Space. The Computation of Human-Centric Architecture Christian Derix Empathic Space. The Computation of Human-Centric Architecture Новинка

Christian Derix Empathic Space. The Computation of Human-Centric Architecture

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In recent years, questions of space have gained renewed momentum in architecture and urban design, as adaptation, densification and sustainable regeneration have become an increasing priority. While most computing-based design tends to emphasise the formal aspects of architecture, overlooking space and its users, the ‘original’ computational design approaches first spearheaded in the UK in the 1960s and 1970s tended to be focused on behavioural and occupational patterns. Over the last decade, a new generation of design research has emerged that has started to implement and validate previous investigations into spatial computation, aiming to understand how to design spatial configurations based on user experiences. This revives an interest in the experiential that was first explored in the early 20th century by German and Nordic organic architects, who invented design methods that correlated cognitive responses of buildings' occupants to spatial structure. The current revival of human-centric design, however, represents the first design approach that synthesises spatial design and algorithmic techniques with organic design thinking, which could also be regarded as a return to the ‘first principles' of architectural design. Contributors include: Paul Coates, Christian Derix, Olafur Eliasson, Lucy Helme, Bill Hillier, Åsmund Izaki, Prarthana Jagannath, Dan Montello, Juhani Pallasmaa, Philip Steadman and Guy Theraulaz. Featured Architects/Designers: Jussi Ängeslevä (Art+Com), Stan Allen, Aedas|R&D, Markus Braach (Kaisersrot), Hermann Hertzberger, Kazuhiro Kojima (Cat), Pablo Miranda and Rafi Segal.
Carlos Aleman Peptide Materials. From Nanostuctures to Applications Carlos Aleman Peptide Materials. From Nanostuctures to Applications Новинка

Carlos Aleman Peptide Materials. From Nanostuctures to Applications

15073.48 руб. или Купить в рассрочку!
Peptides are the building blocks of the natural world; with varied sequences and structures, they enrich materials producing more complex shapes, scaffolds and chemical properties with tailorable functionality. Essentially based on self-assembly and self-organization and mimicking the strategies that occur in Nature, peptide materials have been developed to accomplish certain functions such as the creation of specific secondary structures (a- or 310-helices, b-turns, b-sheets, coiled coils) or biocompatible surfaces with predetermined properties. They also play a key role in the generation of hybrid materials e.g. as peptide-inorganic biomineralized systems and peptide/polymer conjugates, producing smart materials for imaging, bioelectronics, biosensing and molecular recognition applications. Organized into four sections, the book covers the fundamentals of peptide materials, peptide nanostructures, peptide conjugates and hybrid nanomaterials, and applications with chapters including: Properties of peptide scaffolds in solution and on solid substrates Nanostructures, peptide assembly, and peptide nanostructure design Soft spherical structures obtained from amphiphilic peptides and peptide-polymer hybrids Functionalization of carbon nanotubes with peptides Adsorption of peptides on metal and oxide surfaces Peptide applications including tissue engineering, molecular switches, peptide drugs and drug delivery Peptide Materials: From Nanostructures to Applications gives a truly interdisciplinary review, and should appeal to graduate students and researchers in the fields of materials science, nanotechnology, biomedicine and engineering as well as researchers in biomaterials and bio-inspired smart materials.
Paola Ceroni Electrochemistry of Functional Supramolecular Systems Paola Ceroni Electrochemistry of Functional Supramolecular Systems Новинка

Paola Ceroni Electrochemistry of Functional Supramolecular Systems

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With contributions from the most prominent experts around the world, this resource provides an accessible summary of electrochemical techniques and the applications of electrochemical concepts to molecular-level systems. It describes the most important electro-active functional supramolecular systems developed so far, including rotaxanes and catenanes as molecular machines and as elements for information processing; dendrimers as molecular batteries, sensors, light harvesting antennae, and drug delivery systems; and bio-hybrid devices.
Manish Parashar Advanced Computational Infrastructures for Parallel and Distributed Adaptive Applications Manish Parashar Advanced Computational Infrastructures for Parallel and Distributed Adaptive Applications Новинка

Manish Parashar Advanced Computational Infrastructures for Parallel and Distributed Adaptive Applications

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A unique investigation of the state of the art in design, architectures, and implementations of advanced computational infrastructures and the applications they support Emerging large-scale adaptive scientific and engineering applications are requiring an increasing amount of computing and storage resources to provide new insights into complex systems. Due to their runtime adaptivity, these applications exhibit complicated behaviors that are highly dynamic, heterogeneous, and unpredictable—and therefore require full-fledged computational infrastructure support for problem solving, runtime management, and dynamic partitioning/balancing. This book presents a comprehensive study of the design, architecture, and implementation of advanced computational infrastructures as well as the adaptive applications developed and deployed using these infrastructures from different perspectives, including system architects, software engineers, computational scientists, and application scientists. Providing insights into recent research efforts and projects, the authors include descriptions and experiences pertaining to the realistic modeling of adaptive applications on parallel and distributed systems. The first part of the book focuses on high-performance adaptive scientific applications and includes chapters that describe high-impact, real-world application scenarios in order to motivate the need for advanced computational engines as well as to outline their requirements. The second part identifies popular and widely used adaptive computational infrastructures. The third part focuses on the more specific partitioning and runtime management schemes underlying these computational toolkits. Presents representative problem-solving environments and infrastructures, runtime management strategies, partitioning and decomposition methods, and adaptive and dynamic applications Provides a unique collection of selected solutions and infrastructures that have significant impact with sufficient introductory materials Includes descriptions and experiences pertaining to the realistic modeling of adaptive applications on parallel and distributed systems The cross-disciplinary approach of this reference delivers a comprehensive discussion of the requirements, design challenges, underlying design philosophies, architectures, and implementation/deployment details of advanced computational infrastructures. It makes it a valuable resource for advanced courses in computational science and software/systems engineering for senior undergraduate and graduate students, as well as for computational and computer scientists, software developers, and other industry professionals.
Ingvar Eidhammer Computational and Statistical Methods for Protein Quantification by Mass Spectrometry Ingvar Eidhammer Computational and Statistical Methods for Protein Quantification by Mass Spectrometry Новинка

Ingvar Eidhammer Computational and Statistical Methods for Protein Quantification by Mass Spectrometry

7980.62 руб. или Купить в рассрочку!
The definitive introduction to data analysis in quantitative proteomics This book provides all the necessary knowledge about mass spectrometry based proteomics methods and computational and statistical approaches to pursue the planning, design and analysis of quantitative proteomics experiments. The author’s carefully constructed approach allows readers to easily make the transition into the field of quantitative proteomics. Through detailed descriptions of wet-lab methods, computational approaches and statistical tools, this book covers the full scope of a quantitative experiment, allowing readers to acquire new knowledge as well as acting as a useful reference work for more advanced readers. Computational and Statistical Methods for Protein Quantification by Mass Spectrometry: Introduces the use of mass spectrometry in protein quantification and how the bioinformatics challenges in this field can be solved using statistical methods and various software programs. Is illustrated by a large number of figures and examples as well as numerous exercises. Provides both clear and rigorous descriptions of methods and approaches. Is thoroughly indexed and cross-referenced, combining the strengths of a text book with the utility of a reference work. Features detailed discussions of both wet-lab approaches and statistical and computational methods. With clear and thorough descriptions of the various methods and approaches, this book is accessible to biologists, informaticians, and statisticians alike and is aimed at readers across the academic spectrum, from advanced undergraduate students to post doctorates entering the field.
Adachi Chihaya Physics of Organic Semiconductors Adachi Chihaya Physics of Organic Semiconductors Новинка

Adachi Chihaya Physics of Organic Semiconductors

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The field of organic electronics has seen a steady growth over the last 15 years. At the same time, our scientific understanding of how to achieve optimum device performance has grown, and this book gives an overview of our present-day knowledge of the physics behind organic semiconductor devices. Based on the very successful first edition, the editors have invited top scientists from the US, Japan, and Europe to include the developments from recent years, covering such fundamental issues as: – growth and characterization of thin films of organic semiconductors, – charge transport and photophysical properties of the materials as well as their electronic structure at interfaces, and – analysis and modeling of devices like organic light-emitting diodes or organic lasers. The result is an overview of the field for both readers with basic knowledge and for an application-oriented audience. It thus bridges the gap between textbook knowledge largely based on crystalline molecular solids and those books focusing more on device applications.
Kedar Khare Fourier Optics and Computational Imaging Kedar Khare Fourier Optics and Computational Imaging Новинка

Kedar Khare Fourier Optics and Computational Imaging

8410.34 руб. или Купить в рассрочку!
This book covers both the mathematics of inverse problems and optical systems design, and includes a review of the mathematical methods and Fourier optics. The first part of the book deals with the mathematical tools in detail with minimal assumption about prior knowledge on the part of the reader. The second part of the book discusses concepts in optics, particularly propagation of optical waves and coherence properties of optical fields that form the basis of the computational models used for image recovery. The third part provides a discussion of specific imaging systems that illustrate the power of the hybrid computational imaging model in enhancing imaging performance. A number of exercises are provided for readers to develop further understanding of computational imaging. While the focus of the book is largely on optical imaging systems, the key concepts are discussed in a fairly general manner so as to provide useful background for understanding the mechanisms of a diverse range of imaging modalities.
Mateu Jorge Spatio-temporal Design. Advances in Efficient Data Acquisition Mateu Jorge Spatio-temporal Design. Advances in Efficient Data Acquisition Новинка

Mateu Jorge Spatio-temporal Design. Advances in Efficient Data Acquisition

8826.47 руб. или Купить в рассрочку!
A state-of-the-art presentation of optimum spatio-temporal sampling design – bridging classic ideas with modern statistical modeling concepts and the latest computational methods. Spatio-temporal Design presents a comprehensive state-of-the-art presentation combining both classical and modern treatments of network design and planning for spatial and spatio-temporal data acquisition. A common problem set is interwoven throughout the chapters, providing various perspectives to illustrate a complete insight to the problem at hand. Motivated by the high demand for statistical analysis of data that takes spatial and spatio-temporal information into account, this book incorporates ideas from the areas of time series, spatial statistics and stochastic processes, and combines them to discuss optimum spatio-temporal sampling design. Spatio-temporal Design: Advances in Efficient Data Acquisition: Provides an up-to-date account of how to collect space-time data for monitoring, with a focus on statistical aspects and the latest computational methods Discusses basic methods and distinguishes between design and model-based approaches to collecting space-time data. Features model-based frequentist design for univariate and multivariate geostatistics, and second-phase spatial sampling. Integrates common data examples and case studies throughout the book in order to demonstrate the different approaches and their integration. Includes real data sets, data generating mechanisms and simulation scenarios. Accompanied by a supporting website featuring R code. Spatio-temporal Design presents an excellent book for graduate level students as well as a valuable reference for researchers and practitioners in the fields of applied mathematics, engineering, and the environmental and health sciences.
Pablo Munoz-Rojas A. Advanced Computational Materials Modeling. From Classical to Multi-Scale Techniques Pablo Munoz-Rojas A. Advanced Computational Materials Modeling. From Classical to Multi-Scale Techniques Новинка

Pablo Munoz-Rojas A. Advanced Computational Materials Modeling. From Classical to Multi-Scale Techniques

15818.94 руб. или Купить в рассрочку!
With its discussion of strategies for modeling complex materials using new numerical techniques, mainly those based on the finite element method, this monograph covers a range of topics including computational plasticity, multi-scale formulations, optimization and parameter identification, damage mechanics and nonlinear finite elements.
Vijay Thakur Kumar Handbook of Composites from Renewable Materials, Design and Manufacturing Vijay Thakur Kumar Handbook of Composites from Renewable Materials, Design and Manufacturing Новинка

Vijay Thakur Kumar Handbook of Composites from Renewable Materials, Design and Manufacturing

20520.38 руб. или Купить в рассрочку!
The Handbook of Composites From Renewable Materials comprises a set of 8 individual volumes that brings an interdisciplinary perspective to accomplish a more detailed understanding of the interplay between the synthesis, structure, characterization, processing, applications and performance of these advanced materials. The handbook covers a multitude of natural polymers/ reinforcement/ fillers and biodegradable materials. Together, the 8 volumes total at least 5000 pages and offers a unique publication. This 2nd volume of the Handbook is solely focused on the Design and Manufacturing of renewable materials. Some of the important topics include but not limited to: design and manufacturing of high performance green composites; manufacturing of high performance biomass-based polyesters by rheological approach; components design of fibrous composite materials; design and manufacturing of bio-based sandwich structures; design and manufacture of biodegradable products from renewable resources; manufacturing and characterization of quicklime filled metal alloy composites for single row deep groove ball bearing; manufacturing of composites from chicken feathers and poly (vinyl chloride); production of porous carbons from resorcinol-formaldehyde gels: applications; composites using agricultural wastes; manufacturing of rice wastes-based natural fiber polymer composites from thermosetting vs. thermoplastic matrices; thermoplastic polymeric composites; natural fiber reinforced PLA composites; rigid closed-cell PUR foams containing polyols derived from renewable resources; preparation and application of the composite from alginate; recent developments in biocomposites of bombyx mori silk fibroin; design and manufacturing of natural fiber/ synthetic fiber reinforced polymer hybrid composites; natural fibre composite strengthening solution for structural beam component for enhanced flexural strength; high pressure resin transfer molding of epoxy resins from renewable sources; cork based structural composites; the use of wheat straw as an agricultural waste in composites for semi-structural applications and design/ manufacturing of sustainable composites.
Lorenz Biegler Large-Scale Inverse Problems and Quantification of Uncertainty Lorenz Biegler Large-Scale Inverse Problems and Quantification of Uncertainty Новинка

Lorenz Biegler Large-Scale Inverse Problems and Quantification of Uncertainty

11639.97 руб. или Купить в рассрочку!
This book focuses on computational methods for large-scale statistical inverse problems and provides an introduction to statistical Bayesian and frequentist methodologies. Recent research advances for approximation methods are discussed, along with Kalman filtering methods and optimization-based approaches to solving inverse problems. The aim is to cross-fertilize the perspectives of researchers in the areas of data assimilation, statistics, large-scale optimization, applied and computational mathematics, high performance computing, and cutting-edge applications. The solution to large-scale inverse problems critically depends on methods to reduce computational cost. Recent research approaches tackle this challenge in a variety of different ways. Many of the computational frameworks highlighted in this book build upon state-of-the-art methods for simulation of the forward problem, such as, fast Partial Differential Equation (PDE) solvers, reduced-order models and emulators of the forward problem, stochastic spectral approximations, and ensemble-based approximations, as well as exploiting the machinery for large-scale deterministic optimization through adjoint and other sensitivity analysis methods. Key Features: • Brings together the perspectives of researchers in areas of inverse problems and data assimilation. • Assesses the current state-of-the-art and identify needs and opportunities for future research. • Focuses on the computational methods used to analyze and simulate inverse problems. • Written by leading experts of inverse problems and uncertainty quantification. Graduate students and researchers working in statistics, mathematics and engineering will benefit from this book.
Luonan Chen Biomolecular Networks. Methods and Applications in Systems Biology Luonan Chen Biomolecular Networks. Methods and Applications in Systems Biology Новинка

Luonan Chen Biomolecular Networks. Methods and Applications in Systems Biology

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Alternative techniques and tools for analyzing biomolecular networks With the recent rapid advances in molecular biology, high-throughput experimental methods have resulted in enormous amounts of data that can be used to study biomolecular networks in living organisms. With this development has come recognition of the fact that a complicated living organism cannot be fully understood by merely analyzing individual components. Rather, it is the interactions of components or biomolecular networks that are ultimately responsible for an organism's form and function. This book addresses the important need for a new set of computational tools to reveal essential biological mechanisms from a systems biology approach. Readers will get comprehensive coverage of analyzing biomolecular networks in cellular systems based on available experimental data with an emphasis on the aspects of network, system, integration, and engineering. Each topic is treated in depth with specific biological problems and novel computational methods: GENE NETWORKS—Transcriptional regulation; reconstruction of gene regulatory networks; and inference of transcriptional regulatory networks PROTEIN INTERACTION NETWORKS—Prediction of protein-protein interactions; topological structure of biomolecular networks; alignment of biomolecular networks; and network-based prediction of protein function METABOLIC NETWORKS AND SIGNALING NETWORKS—Analysis, reconstruction, and applications of metabolic networks; modeling and inference of signaling networks; and other topics and new trends In addition to theoretical results and methods, many computational software tools are referenced and available from the authors' Web sites. Biomolecular Networks is an indispensable reference for researchers and graduate students in bioinformatics, computational biology, systems biology, computer science, and applied mathematics.
Abdel-Aal Seham K., Abdel - Rahman Ahmed S. Structure and properties of Co-halide perovskite hybrid Abdel-Aal Seham K., Abdel - Rahman Ahmed S. Structure and properties of Co-halide perovskite hybrid Новинка

Abdel-Aal Seham K., Abdel - Rahman Ahmed S. Structure and properties of Co-halide perovskite hybrid

Organic-inorganic hybrid (OIH) semiconductors have been under extensive investigations for the past two decades due to their interesting structure, optical and electric properties. OIH materials represent a creative alternative for the design of new materials and compounds for academic research, and improvement of their physical properties and possible application in optics, electronics, ionic, mechanics, energy, environment, biology and medicine. Applications include smart membranes and separation devices, functional smart coatings, a new generation of photovoltaic and fuel cells, photocatalysts, new catalysts, sensors, smart microelectronics, micro-optical and photonic. OIH are actually composite materials formed by the combination of inorganic materials and organic polymers, however, they are not simply physical mixtures. They can be broadly defined as molecular or nano-composites with organic (or bio) and inorganic components, intimately mixed where at least one of the component domains has a dimension ranging from a few Å to several nanometers.
Marc-Etienne Moret Non-Noble Metal Catalysis. Molecular Approaches and Reactions Marc-Etienne Moret Non-Noble Metal Catalysis. Molecular Approaches and Reactions Новинка

Marc-Etienne Moret Non-Noble Metal Catalysis. Molecular Approaches and Reactions

18558.22 руб. или Купить в рассрочку!
This up-to-date review of this expanding field features conceptual chapters that provide readers with an overview of the specific principles and tools used in the development of molecular non-noble metal catalysts, such as the use of cooperative/redox non-innocent ligands, computational methods, and proton-coupled electron transfer (PCET) reactions. Reaction-specific chapters then typically focus on the use of non-noble metal catalysts in general or of one specific base metal for a specific reaction or highly related set of reactions. A must-have for researchers in the field of homogeneous catalysis and molecular synthesis, both in academia and in industry.
Ian Fleming Molecular Orbitals and Organic Chemical Reactions. Reference Edition Ian Fleming Molecular Orbitals and Organic Chemical Reactions. Reference Edition Новинка

Ian Fleming Molecular Orbitals and Organic Chemical Reactions. Reference Edition

13730.07 руб. или Купить в рассрочку!
Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions – How Far and How Fast Ionic Reactions – Reactivity Ionic Reactions – Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions This expanded Reference Edition of Molecular Orbitals and Organic Chemical Reactions takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. The student edition of Molecular Orbitals and Organic Chemical Reactions presents molecular orbital theory in a simplified form, and offers an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. Further information can be viewed here. «These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books.» -Professor Ian Fleming

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Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions – How Far and How Fast Ionic Reactions – Reactivity Ionic Reactions – Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions This expanded Reference Edition of Molecular Orbitals and Organic Chemical Reactions takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. The student edition of Molecular Orbitals and Organic Chemical Reactions presents molecular orbital theory in a simplified form, and offers an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. Further information can be viewed here. «These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books.» -Professor Ian Fleming
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