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Larger Scale Chemical Transformations
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Classroom Contents
Topology in Chemistry Applications
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- 1 Intro
- 2 What a chemist means by topology
- 3 The Molecular Structure in Chemistry
- 4 The Challenges of CF's
- 5 Graph Theory Toolkit
- 6 Networks of Chemical Interactions
- 7 Mathematical Representation of the Network
- 8 Pattern Analysis of the Network
- 9 Understanding Chemical Transformations
- 10 Coordination Number (degree) vs. PageRank
- 11 Examples
- 12 Turning an Order Parameter into a CV
- 13 Larger Scale Chemical Transformations
- 14 Community Analysis: Modularity optimization
- 15 Classification of Surface Structures
