Computational Chemistry

This book PDF is perfect for those who love Science genre, written by Errol G. Lewars and published by Springer Science & Business Media which was released on 08 May 2007 with total hardcover pages 471. You could read this book directly on your devices with pdf, epub and kindle format, check detail and related Computational Chemistry books below.

Computational Chemistry
Computational Chemistry
Author : Errol G. Lewars
File Size : 43,6 Mb
Publisher : Springer Science & Business Media
Language : English
Release Date : 08 May 2007
ISBN : 9780306483912
Pages : 471 pages
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Computational Chemistry by Errol G. Lewars Book PDF Summary

Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hückel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.

Computational Chemistry

Computational Chemistry by Errol G. Lewars

Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching

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Essentials of Computational Chemistry

Essentials of Computational Chemistry by Christopher J. Cramer

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

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Frontiers in Computational Chemistry

Frontiers in Computational Chemistry by Zaheer Ul-Haq,Jeffry D. Madura

Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the

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Introduction to Computational Chemistry

Introduction to Computational Chemistry by Frank Jensen

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

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Computational Chemistry of Solid State Materials

Computational Chemistry of Solid State Materials by Richard Dronskowski

This is the first book to present both classical and quantum-chemical approaches to computational methods, incorporating the many new developments in this field from the last few years. Written especially for "non"-theoretical readers in a readily comprehensible and implemental style, it includes numerous practical examples of varying degrees of

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Theory and Applications of Computational Chemistry

Theory and Applications of Computational Chemistry by Clifford Dykstra,Gernot Frenking,Kwang Kim,Gustavo Scuseria

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

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Annual Reports in Computational Chemistry

Annual Reports in Computational Chemistry by Anonim

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the

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Computational Quantum Chemistry

Computational Quantum Chemistry by Ram Yatan Prasad,Pranita

Computational Quantum Chemistry, Second Edition, is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons

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