Topological graphs: a review of some of our achievements and perspectives in physical chemistry and homogeneous catalysis
This paper reviews some of our developments in algorithmic graph theory, with some applications in physical chemistry and catalysis. Two levels of granularity in the topological graphs have been developed: atomistic 2D-MolGraphs and coarse-grained polygraphs of H-bonded cycles. These graphs have bee...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Académie des sciences
2024-11-01
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| Series: | Comptes Rendus. Chimie |
| Subjects: | |
| Online Access: | https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.317/ |
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