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by Katsunosuke Machida

Download Principles of Molecular Mechanics fb2, epub

ISBN: 0471357278
Author: Katsunosuke Machida
Language: English
Publisher: Wiley-Kodansha; 1 edition (August 27, 1999)
Pages: 328
Category: Medicine
Subcategory: Medicine
Rating: 4.3
Votes: 856
Size Fb2: 1642 kb
Size ePub: 1485 kb
Size Djvu: 1883 kb
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Principles of Molecular Mechanics Katsunosuke Machida Computational methods in chemistry have become increasingly important over recent years, and today many chemical laboratories in industry and academia are routinely applying the principles of molecular mechanics. This unique book, written from a theoretical chemist's point of view, brings together the mathematical and theoretical basis of calculations used in many molecular mechanics software tools, and will be indispensable for anyone using computational techniques.

Principles of Molecular Mechanics contains a discussion of the fundamental analytical expressions used in calculating molecular properties from molecular force fields derived from a wide variety of mathematical and physical methods

Principles of Molecular Mechanics contains a discussion of the fundamental analytical expressions used in calculating molecular properties from molecular force fields derived from a wide variety of mathematical and physical methods. Похожие книги: Molecular Mechanisms of Programmed Cell Death.

The origin of molecular mechanics and its evolution is followed starting from. A short survey of the general principles and selected applications of molecular mechanics (MM) is presented. The origin of molecular mechanics and its evolution is followed starting from pre-computer and the first computer-aided estimations of the structure and potential energy of simple molecular systems to the modern force fields and software for the computations of large biomolecules and their complexes.

Principles of classical statistical mechanics: A perspective from the notion of complementarity. By Katsunosuke Machida. January 1912 · Ethics.

Elementary Methods of Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics.

Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields.

Principles of Molecular Mechanics by Machida, Katsunosuke (Hardback book, 1999).

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The molecular mechanics method describes the heat of formation, H o f, of a molecule using a set of unstrained incremental heats of formation for "unstrained" atoms of various types, H o f unstrained atom types

The molecular mechanics method describes the heat of formation, H o f, of a molecule using a set of unstrained incremental heats of formation for "unstrained" atoms of various types, H o f unstrained atom types. When added together, these terms give a reasonably good fit to the experimental heats of formation of simple molecules with little or no strain.

Principles of molecular mechanics. by Machida, Katsunosuke. Vector Mechanics for Engineers: Statics and Dynamics. by Beer, Ferdinand P. - (Ferdinand Pierre), - 1915-2003. Publisher: Kodansha ; Wiley, (Tokyo : New York :) Year: 1999.

Principles of Molecular Mechanics Katsunosuke Machida Computational methods in chemistry have become increasingly important over recent years, and today many chemical laboratories in industry and academia are routinely applying the principles of molecular mechanics. This unique book, written from a theoretical chemist's point of view, brings together the mathematical and theoretical basis of calculations used in many molecular mechanics software tools, and will be indispensable for anyone using computational techniques. Principles of Molecular Mechanics contains a discussion of the fundamental analytical expressions used in calculating molecular properties from molecular force fields derived from a wide variety of mathematical and physical methods. Practical algorithms are outlined with an emphasis on speeding up calculation and saving computer memory, essential to researchers designing or improving computer programs for molecular mechanics. This book is essential reading for all researchers and graduate students working in molecular simulations, computational chemistry, theoretical chemistry and physical chemistry.

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