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[资源] Molecular modelling:principles and applications。PDF版下载

费好大劲找到的，如果是做计算模拟，分子动力学模拟的，首推的一本书，非常经典的模拟图书，对原理介绍得特别清楚，特别适合期望对模拟理论全面了解的读者。
作　　者： A.R.Leach　著
出版社：世界图书出版公司
语言：英语
出版时间： 2003-6-1
字　　数：
版　　次： 1
页　　数： 744
印刷时间： 2003-6-1
开　　本：
印　　次：
纸　　张：胶版纸
I S B N ： 9787506259361
包　　装：平装
定价：98
This 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.
目录
Preface to the Second Edition
Preface to the First Edition
Symbols and Physical Constants
Acknowledgements
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 Empirical 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 Modeling and Chemoinformatics to Discover and Design New Molecules
Index

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2016-12-07 09:35:58, 48.83 M