Principles And Practices Of Molecular Properties
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Principles And Practices Of Molecular Properties
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Author : Patrick Norman
language : en
Publisher: John Wiley & Sons
Release Date : 2018-03-19
Principles And Practices Of Molecular Properties written by Patrick Norman and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-03-19 with Technology & Engineering categories.
A comprehensive yet accessible exploration of quantum chemical methods for the determination of molecular properties of spectroscopic relevance Molecular properties can be probed both through experiment and simulation. This book bridges these two worlds, connecting the experimentalist's macroscopic view of responses of the electromagnetic field to the theoretician’s microscopic description of the molecular responses. Comprehensive in scope, it also offers conceptual illustrations of molecular response theory by means of time-dependent simulations of simple systems. This important resource in physical chemistry offers: A journey in electrodynamics from the molecular microscopic perspective to the conventional macroscopic viewpoint The construction of Hamiltonians that are appropriate for the quantum mechanical description of molecular properties Time- and frequency-domain perspectives of light–matter interactions and molecular responses of both electrons and nuclei An introduction to approximate state response theory that serves as an everyday tool for computational chemists A unified presentation of prominent molecular properties Principles and Practices of Molecular Properties: Theory, Modeling and Simulations is written by noted experts in the field. It is a guide for graduate students, postdoctoral researchers and professionals in academia and industry alike, providing a set of keys to the research literature.
Thermodynamic Properties Of Organic Compounds
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Author : George J. Janz
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Thermodynamic Properties Of Organic Compounds written by George J. Janz and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Thermodynamic Properties of Organic Compounds: Estimation Methods, Principles and Practice, Revised Edition focuses on the progression of practical methods in computing the thermodynamic characteristics of organic compounds. Divided into two parts with eight chapters, the book concentrates first on the methods of estimation. Topics presented are statistical and combined thermodynamic functions; free energy change and equilibrium conversions; and estimation of thermodynamic properties. The next discussions focus on the thermodynamic properties of simple polyatomic systems by statistical thermodynamic methods. Discussed are molecular energy of an ideal gas; partition function and thermodynamic properties; and calculation of statistical thermodynamic functions. The book also notes the dynamic properties of long chain hydrocarbons and the method of structural similarity. Tabulations and numerical representations are presented as well. Discussions also focus on methods of group contributions and group equations. Included are paraffins, unsaturated carbons, cyclic hydrocarbons, and nonhydrocarbon groups. The last part of the text focuses on heat formation and heat capacity; the applications of thermodynamic method; and numerical data. Included in the discussions are bond energies and binding energies; gaseous free radicals and ions; and hydrogenation of benzene. The book is an important source of data for readers interested in studying the thermodynamic characteristics of organic compounds.
Molecular Electronics
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Author : Michael C. Petty
language : en
Publisher: John Wiley & Sons
Release Date : 2008-03-11
Molecular Electronics written by Michael C. Petty and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-03-11 with Technology & Engineering categories.
This consistent and comprehensive text is unique in providing an informed insight into molecular electronics by contrasting the prospects for molecular scale electronics with the continuing development of the inorganic semiconductor industry. Providing a wealth of information on the subject from background material to possible applications, Molecular Electronics contains all the need to know information in one easily accessible place. Speculation about future developments has also been included to give the whole picture of this increasingly popular and important topic.
Fundamental Principles Of Molecular Modeling
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Author : Anton Amann
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Fundamental Principles Of Molecular Modeling written by Anton Amann and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-29 with Science categories.
Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry. This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design. The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches. The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.
New Electron Correlation Methods And Their Applications And Use Of Atomic Orbitals With Exponential Asymptotes
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Author :
language : en
Publisher: Academic Press
Release Date : 2021-09-28
New Electron Correlation Methods And Their Applications And Use Of Atomic Orbitals With Exponential Asymptotes written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-28 with Science categories.
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers
Molecular Properties
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Author :
language : en
Publisher:
Release Date : 1970
Molecular Properties written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1970 with categories.
Materials Principles And Practice
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Author : Charles Newey
language : en
Publisher: Elsevier
Release Date : 2013-10-22
Materials Principles And Practice written by Charles Newey and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Technology & Engineering categories.
Materials Principles and Practice deals with materials science in the technological context of making and using materials. Topics covered include the nature of materials such as crystals, an atomic view of solids, temperature effects on materials, and the mechanical and chemical properties of materials. This book is comprised of seven chapters and begins with an overview of the properties of different kinds of material, the ways in which materials can be shaped, and the uses to which they can be put. The next chapter describes the state of matter as a balance between the tendencies of atoms to stick together (by chemical bonding) or rattle apart (by thermal agitation), paying particular attention to ionic bonds and ionic crystals, the structure and properties of polymers, and transition metals. The reader is also introduced to how the structure of materials, especially microstructure, can be manipulated to give desired properties via thermal, mechanical, and chemical agents of change. This text concludes by describing the chemistry of processing and service of various materials. Exercises and self-assessment questions with answers are given at the end of each chapter, together with a set of objectives. This monograph will be a valuable resource for students of materials science and the physical sciences.
Organic And Molecular Electronics
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Author : Michael C. Petty
language : en
Publisher: John Wiley & Sons
Release Date : 2019-01-04
Organic And Molecular Electronics written by Michael C. Petty and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-01-04 with Technology & Engineering categories.
An introduction to the interdisciplinary subject of molecular electronics, revised and updated The revised second edition of Organic and Molecular Electronics offers a guide to the fabrication and application of a wide range of electronic devices based around organic materials and low-cost technologies. Since the publication of the first edition, organic electronics has greatly progressed, as evidenced by the myriad companies that have been established to explore the new possibilities. The text contains an introduction into the physics and chemistry of organic materials, and includes a discussion of the means to process the materials into a form (in most cases, a thin film) where they can be exploited in electronic and optoelectronic devices. The text covers the areas of application and potential application that range from chemical and biochemical sensors to plastic light emitting displays. The updated second edition reflects the recent progress in both organic and molecular electronics and: Offers an accessible resource for a wide range of readers Contains a comprehensive text that covers topics including electrical conductivity, optical phenomena, electroactive organic compounds, tools for molecular electronics and much more Includes illustrative examples based on the most recent research Presents problems at the end of each chapter to help reinforce key points Written mainly for engineering students, Organic and Molecular Electronics: From Principles to Practice provides an updated introduction to the interdisciplinary subjects of organic electronics and molecular electronics with detailed examples of applications.
The Handbook Of Medicinal Chemistry
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Author : Andrew Davis
language : en
Publisher: Royal Society of Chemistry
Release Date : 2015-07-07
The Handbook Of Medicinal Chemistry written by Andrew Davis and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-07-07 with Science categories.
Drug discovery is a constantly developing and expanding area of research. Developed to provide a comprehensive guide, the Handbook of Medicinal Chemistry covers the past, present and future of the entire drug development process. Highlighting the recent successes and failures in drug discovery, the book helps readers to understand the factors governing modern drug discovery from the initial concept through to a marketed medicine. With chapters covering a wide range of topics from drug discovery processes and optimization, development of synthetic routes, pharmaceutical properties and computational biology, the handbook aims to enable medicinal chemists to apply their academic understanding to every aspect of drug discovery. Each chapter includes expert advice to not only provide a rigorous understanding of the principles being discussed, but to provide useful hints and tips gained from within the pharmaceutical industry. This expertise, combined with project case studies, highlighting and discussing all areas of successful projects, make this an essential handbook for all those involved in pharmaceutical development.
Molecular Modeling Of Polymer Structures And Properties
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Author : Bruce R. Gelin
language : en
Publisher: Hanser Gardner Publications
Release Date : 1994-01-01
Molecular Modeling Of Polymer Structures And Properties written by Bruce R. Gelin and has been published by Hanser Gardner Publications this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-01-01 with Computers categories.
This book provides an introduction to the techniques of molecular modeling and simulation with practical examples.