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Practical Aspects of Computational Chemistry IV

2016-05-17 Science
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Release : 2016-05-17
Genre : Science
Kind : eBook
Book Rating : 99X/5 ( reviews)

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Book Synopsis Practical Aspects of Computational Chemistry IV by : Jerzy Leszczynski

Download or read book Practical Aspects of Computational Chemistry IV written by Jerzy Leszczynski. This book was released on 2016-05-17. Available in PDF, EPUB and Kindle. Book excerpt: The editors of this volume have compiled an important book that is a useful vehicle for important computational research - in the development of theoretical methodologies and their practical applications. Themes include new methodologies, state-of-the-art computational algorithms and hardware as well as new applications. This volume, Practical Aspects of Computational Chemistry IV, is part of a continuous effort by the editors to document recent progress made by eminent researchers. Most of these chapters have been collected from invited speakers from the annual international meeting: “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/Computational Chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Certainly, it is not possible to cover all topics related to the Computational Chemistry in a single volume but we hope that the recent contributions in the latest volume of this collection adequately highlight this important scientific area.

Practical Aspects of Computational Chemistry

2012
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Release : 2012
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Kind : eBook
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Book Synopsis Practical Aspects of Computational Chemistry by : Jerzy Leszczynski

Download or read book Practical Aspects of Computational Chemistry written by Jerzy Leszczynski. This book was released on 2012. Available in PDF, EPUB and Kindle. Book excerpt:

Practical Aspects of Computational Chemistry V

2021-10-21 Science
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Release : 2021-10-21
Genre : Science
Kind : eBook
Book Rating : 449/5 ( reviews)

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Book Synopsis Practical Aspects of Computational Chemistry V by : Jerzy Leszczynski

Download or read book Practical Aspects of Computational Chemistry V written by Jerzy Leszczynski. This book was released on 2021-10-21. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Practical Aspects of Computational Chemistry III

2014-04-23 Science
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Release : 2014-04-23
Genre : Science
Kind : eBook
Book Rating : 458/5 ( reviews)

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Book Synopsis Practical Aspects of Computational Chemistry III by : Jerzy Leszczynski

Download or read book Practical Aspects of Computational Chemistry III written by Jerzy Leszczynski. This book was released on 2014-04-23. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference “Conference on Current Trends on Computational Chemistry” (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at 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. The book is a valuable resource for undergraduate, graduate and PhD students as well as established researchers.

Practical Aspects of Computational Chemistry I

2012-01-02 Science
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Release : 2012-01-02
Genre : Science
Kind : eBook
Book Rating : 196/5 ( reviews)

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Book Synopsis Practical Aspects of Computational Chemistry I by : Jerzy Leszczynski

Download or read book Practical Aspects of Computational Chemistry I written by Jerzy Leszczynski. This book was released on 2012-01-02. Available in PDF, EPUB and Kindle. Book excerpt: Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.

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