Molecular Modelling: Principles and Applications, Andrew R. Leach

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Item specifics

Condition
Very Good: A book that has been read but is in excellent condition. No obvious damage to the cover, ...
EAN
9780582239333
ISBN
9780582239333
Category

About this product

Product Identifiers

Publisher
Prentice Hall PTR
ISBN-10
0582239338
ISBN-13
9780582239333
eBay Product ID (ePID)
274994

Product Key Features

Number of Pages
616 Pages
Language
English
Publication Name
Molecual Modelling : Principles and Applications
Publication Year
1996
Subject
Life Sciences / Molecular Biology, Physics / Atomic & Molecular
Type
Textbook
Subject Area
Science
Author
Andrew R. Leach
Format
Trade Paperback

Dimensions

Item Height
1.4 in
Item Weight
34.4 Oz
Item Length
9.3 in
Item Width
6.2 in

Additional Product Features

Intended Audience
College Audience
Reviews
"Leach has already done the future of chemistry considerable service: I know of no better introduction to this subject" (Peter Atkins, University of Oxford) "...this is a well-produced book - there are some attractive colour plates of molecular displays - whose great strength is the treatment of the principles, theory and alogrithms of modern molecular modelling. It is an important addition to the literature for both teaching and research." (Computers and Chemistry)
Dewey Edition
20
Illustrated
Yes
Dewey Decimal
541.2/2/015118
Table Of Content
Preface Acknowledgements Molecular Modelling: Definitions, Historical Background and Some Introductory Concepts Quantum Mechanical Model Empirical Force Field Models: Molecular Mechanics Energy Minimization and Other Methods for Exploring the Energy Surface An Introduction to Computer Simulation Methods Molecular Dynamics Monte Carlo Simulation Methods Conformational Analysis Three Challenges in Molecular Modelling: Free Energies, Solvation and Simulating Reactions The Use of Molecular Modelling to Discover and Design New Molecules
Synopsis
A broad and practical introduction to the major techniques employed in molecular modelling and computational chemistry. Split into two parts, the first covers the two major methods used to describe the interactions within a system - quantum mechanics and molecular mechanics. The second deals with the techniques that use such energy models, including minimisation, molecular dynamics, Monte Carlo simulations and conformational analysis. Molecular Modelling also discusses the use of more advanced methods, such as the calculation of free energies, simulation of chemical reactions and the use of database searching to design new molecules. Visit the accompanying website now at http://www.booksites.net/leach., Presents a comprehensive and practical introduction to the major techniques and methods used in molecular modelling. Each section of the book begins with a description of the theoretical background to a technique, and goes on to consider its application to real-life problems.

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