Theoretical Chemistry
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Principles Of Theoretical Chemistry
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Author : Ira Remsen
language : en
Publisher:
Release Date : 1887
Principles Of Theoretical Chemistry written by Ira Remsen and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1887 with Chemistry, Physical and theoretical categories.
Essentials Of Computational Chemistry
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Author : Christopher J. Cramer
language : en
Publisher: John Wiley & Sons
Release Date : 2013-04-29
Essentials Of Computational Chemistry written by Christopher J. Cramer 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 2013-04-29 with Science categories.
Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.
Manual For Theoretical Chemistry
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Author : Dmitry Matyushov
language : en
Publisher: World Scientific
Release Date : 2020-12-23
Manual For Theoretical Chemistry written by Dmitry Matyushov and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12-23 with Science categories.
This study guide aims at explaining theoretical concepts encountered by practitioners applying theory to molecular science. This is a collection of short chapters, a manual, attempting to walk the reader through two types of topics: (i) those that are usually covered by standard texts but are difficult to grasp and (ii) topics not usually covered, but are essential for successful theoretical research. The main focus is on the latter. The philosophy of this book is not to cover a complete theory, but instead to provide a set of simple study cases helping to illustrate main concepts. The focus is on simplicity. Each section is made deliberately short, to enable the reader to easily grasp the contents. Sections are collated in themed chapters, and the advantage is that each section can be studied separately, as an introduction to more in-depth studies. Topics covered are related to elasticity, electrostatics, molecular dynamics and molecular spectroscopy, which form the foundation for many presently active research areas such as molecular biophysics and soft matter physics. The notes provide a uniform approach to all these areas, helping the reader to grasp the basic concepts from a common set of theoretical tools.
Theoretical Chemistry Accounts
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Author : Christopher Cramer
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-11
Theoretical Chemistry Accounts written by Christopher Cramer 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 2013-11-11 with Science categories.
For the New Century Issue of the journal "Theroretical Chemistry Accounts" the advisory editors identified papers from the first century of theoretical chemistry and discussed their importance for the twentieth century with an eye towards the twenty-first century. Sixty-six such perspectives are published in the New Century Issue. To make this unique collection available to younger scientists for entertaining reading and re-reading of the original publications, the publisher decided to reprint a special edition of the issue.
The Basics Of Theoretical And Computational Chemistry
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Author : Bernd Michael Rode
language : en
Publisher: Wiley-VCH
Release Date : 2007-03-12
The Basics Of Theoretical And Computational Chemistry written by Bernd Michael Rode and has been published by Wiley-VCH this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-03-12 with Science categories.
This textbook does away with the classic, unimaginative approach and comes straight to the point with a bare minimum of mathematics -- emphasizing the understanding of concepts rather than presenting endless strings of formulae. It nonetheless covers all important aspects of computational chemistry, such as - vector space theory - quantum mechanics - approximation methods - theoretical models - and computational methods. Throughout the chapters, mathematics are differentiated by necessity for understanding - fundamental formulae, and all the others. All formulae are explained step by step without omission, but the non-vital ones are marked and can be skipped by those who do not relish complex mathematics. The reader will find the text a lucid and innovative introduction to theoretical and computational chemistry, with food for thought given at the end of each chapter in the shape of several questions that help develop understanding of the concepts. What the reader will not find in this book are condescending sentences such as, 'From (formula A) and (formula M) it is obvious that (formula Z).'
Theoretical Chemistry In Belgium
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Author : Benoît Champagne
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-10-16
Theoretical Chemistry In Belgium written by Benoît Champagne 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 2013-10-16 with Science categories.
Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.
From Chemical Philosophy To Theoretical Chemistry
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Author : Mary Jo Nye
language : en
Publisher: Univ of California Press
Release Date : 1994-03-01
From Chemical Philosophy To Theoretical Chemistry written by Mary Jo Nye and has been published by Univ of California Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-03-01 with Science categories.
How did chemistry and physics acquire their separate identities, and are they on their way to losing them again? Mary Jo Nye has written a graceful account of the historical demarcation of chemistry from physics and subsequent reconvergences of the two, from Lavoisier and Dalton in the late eighteenth century to Robinson, Ingold, and Pauling in the mid-twentieth century. Using the notion of a disciplinary "identity" analogous to ethnic or national identity, Nye develops a theory of the nature of disciplinary structure and change. She discusses the distinctive character of chemical language and theories and the role of national styles and traditions in building a scientific discipline. Anyone interested in the history of scientific thought will enjoy pondering with her the question of whether chemists of the mid-twentieth century suspected chemical explanation had been reduced to physical laws, just as Newtonian mechanical philosophers had envisioned in the eighteenth century.
Theoretical Chemistry For Electronic Excited States
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Author : Michael A Robb
language : en
Publisher: Royal Society of Chemistry
Release Date : 2018-03-02
Theoretical Chemistry For Electronic Excited States written by Michael A Robb 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 2018-03-02 with Science categories.
Over the past few decades, experimental excited state chemistry has moved into the femtochemistry era, where time resolution is short enough to resolve nuclear dynamics. Recently, the time resolution has moved into the attosecond domain, where electronic motion can be resolved as well. Theoretical chemistry is becoming an essential partner in such experimental investigations; not only for the interpretation of the results, but also to suggest new experiments. This book provides an integrated approach. The three main facets of excited-state theoretical chemistry; namely, mechanism, which focuses on the shape of the potential surface along the reaction path, multi-state electronic structure methods, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both theorists and experimentalists, involved in theoretical chemistry, in electronic structure computations and in molecular dynamics. The book will provide both with the knowledge and understanding to discover ways to work together more closely through its unified approach.
Principles Of Theoretical Chemistry
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Author : Ira Remsen
language : en
Publisher:
Release Date : 1877
Principles Of Theoretical Chemistry written by Ira Remsen and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1877 with Chemistry, Physical and theoretical categories.
Theoretical Chemistry For Experimental Chemists
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Author : Kazuyoshi Tanaka
language : en
Publisher: Springer Nature
Release Date : 2020-08-28
Theoretical Chemistry For Experimental Chemists written by Kazuyoshi Tanaka and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-08-28 with Science categories.
This book presents active application aspects of theoretical chemistry, and is particularly intended for experimental chemists, ranging from graduate students to more professional researchers, who are developing new materials or searching for novel properties of the materials they work with. It not only addresses the fundamental aspects of theoretical chemistry but also provides abundant examples of applications based on the electronic structure analyses of actual systems. As the book demonstrates, these analyses can deepen our understanding of a variety of chemical phenomena, including the chemical reactivities and electronic properties of substances, in a bottom-up manner. By illustrating how electronic structure analyses can be effectively applied, the book introduces readers to the impressive potential of theoretical chemistry, which they can adapt for their own purposes, and without having to suffer through a parade of complex formulae.