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Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics

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Cover of 'Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics'

Table of Contents

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    Book Overview
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    Chapter 1 An Outline of What Computational Chemistry is All About
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    Chapter 2 The Concept of the Potential Energy Surface
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    Chapter 3 Molecular Mechanics
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    Chapter 4 Introduction to Quantum Mechanics in Computational Chemistry
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    Chapter 5 Ab initio Calculations
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    Chapter 6 Semiempirical Calculations
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    Chapter 7 Density Functional Calculations
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    Chapter 8 Literature, Software, Books and Websites
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