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Molecular Modelling : Principles and Applications by Andrew Leach (2001, Trade Paperback)

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About this product

Product Identifiers

PublisherPearson Education

ISBN-100582382106

ISBN-139780582382107

eBay Product ID (ePID)273151

Product Key Features

Number of Pages768 Pages

LanguageEnglish

Publication NameMolecular Modelling : Principles and Applications

SubjectPhysics / Atomic & Molecular, Chemistry / General

Publication Year2001

FeaturesRevised

TypeTextbook

AuthorAndrew Leach

Subject AreaScience

FormatTrade Paperback

Dimensions

Item Height1.7 in

Item Weight46.4 Oz

Item Length9.1 in

Item Width6.7 in

Additional Product Features

Edition Number2

Intended AudienceScholarly & Professional

LCCN00-046480

Dewey Edition21

IllustratedYes

Dewey Decimal541.2/2/0113

Table Of ContentPreface. Symbols and physical constants. 1. Useful Concepts in Molecular Modelling. 2. An Introduction to Computational Quantum Mechanics. 3. Advanced AB Initio Methods, Density Functional Theory and Solid-State Quantum Mechanics. 4. Force Field Models: Molecular Mechanics. 5. Energy Minimisation and Related Methods for Exploring the Energy Surface. 6. Computer Simulation Methods. 7. Molecular Dynamics Simulation Methods. 8. Monte Carlo Simulation Methods. 9. Conformational Analysis. 10. Protein Structure Prediction, Sequence Analysis and Protein Folding. 11. Four Challenges in Molecular Modelling: Free Energies, Solvation, Reactions and Solid-State Defects. 12. The Use of Molecular Modelling and Chemoinformatics to Discover and Design New Molecules.

Edition DescriptionRevised edition

SynopsisThis important new edition is for graduate students studying Molecular Modelling, Computational Chemistry within Chemistry, Medicinal Chemistry and Biochemistry. Postgraduates and researchers in academia and in the chemical and pharmaceutical industries. This new edition introduces background theory and techniques of molecular modelling, also illustrates applications in studying physical, chemical and biological phenomena. It includes simple numerical examples and numerous explanatory figures and a colour plate section.

LC Classification NumberQD480.L43 2001