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Applying Molecular and Materials Modeling

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Cover of 'Applying Molecular and Materials Modeling'

Table of Contents

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    Book Overview
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    Chapter 1 Introduction
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    Chapter 2 Science: Electronic Structure, Thermochemistry and Kinetics
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    Chapter 3 Science: Molecular Simulations and Mesoscale Methods
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    Chapter 4 Science: Information Technologies
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    Chapter 5 Applications: The Chemical Industry
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    Chapter 6 Applications: Pharmaceuticals and Life Sciences
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    Chapter 7 Applications: Physical and Electronic Materials
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    Chapter 8 Applications: Catalysis
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    Chapter 9 Infrastructure Issues for Applying Molecularly Based Modeling
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    Chapter 10 International Comparison
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    Chapter 11 Summary and Vision
Attention for Chapter 2: Science: Electronic Structure, Thermochemistry and Kinetics
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