Practical Aspects of Computational Chemistry V - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Practical Aspects of Computational Chemistry V write by Jerzy Leszczynski. This book was released on 2021-10-21. Practical Aspects of Computational Chemistry V available in PDF, EPUB and Kindle. This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference “Current Trends in Computational Chemistry”, organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent theoretical and computational chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Topics covered in the book include reactive force-field methodologies, coarse-grained modeling, DNA damage radiosensitizers, modeling and simulation of surfaces and interfaces, non-covalent interactions, and many others. The book is intended for theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. It is a valuable resource for undergraduate, graduate and PhD students as well as for established researchers.
The Basics of Theoretical and Computational Chemistry
The Basics of Theoretical and Computational Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook The Basics of Theoretical and Computational Chemistry write by Bernd Michael Rode. This book was released on 2007-03-12. The Basics of Theoretical and Computational Chemistry available in PDF, EPUB and Kindle. 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 Aspects of Chemical Reactivity
Theoretical Aspects of Chemical Reactivity - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Theoretical Aspects of Chemical Reactivity write by . This book was released on 2006-11-14. Theoretical Aspects of Chemical Reactivity available in PDF, EPUB and Kindle. Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems and clusters. With an increase in the use of reactivity descriptors, and fundamental theoretical aspects becoming more challenging, this volume serves as an interesting overview where traditional concepts are revisited and explored from new viewpoints, and new varieties of reactivity descriptors are proposed. Includes applications in the frontiers of reactivity principles, and introduces dynamic and statistical viewpoints to chemical reactivity and challenging traditional concepts such as aromaticity. * Written by specialists in the field of chemical reactivity* An authoritative overview of the research and progress * An essential reference material for students
Theory and Applications of Computational Chemistry
Theory and Applications of Computational Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Theory and Applications of Computational Chemistry write by Clifford Dykstra. This book was released on 2011-10-13. Theory and Applications of Computational Chemistry available in PDF, EPUB and Kindle. Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field
Theoretical and Computational Chemistry
Theoretical and Computational Chemistry - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Theoretical and Computational Chemistry write by Iwona Gulaczyk. This book was released on 2021-06-08. Theoretical and Computational Chemistry available in PDF, EPUB and Kindle. This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calculations can be used to solve a wide range of practical challenges encountered in research and industry.
