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Table of Contents | ||
List of Figures | ||
List of Tables | ||
Executive Summary | ||
1 | Introduction | |
2 | Science: Electronic Structure, Thermochemistry and Kinetics | |
3 | Science: Molecular Simulations and Mesoscale Methods | |
4 | Science: Information Technologies | |
5 | Applications: The Chemical Industry | |
6 | Applications: Pharmaceuticals and Life Sciences | |
7 | Applications: Physical and Electronic Materials | |
8 | Applications: Catalysis | |
9 | Infrastructure Issues for Applying Molecularly Based Modeling | |
10 | International Comparison | |
11 | Summary and Vision | |
App. A | Biographical Sketches of Panel Members and other Traveling-Team Members | |
App. B.1 | Site Reports - Europe | |
App. B.2 | Site Reports - Japan |
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