JTHERGAS, Thermodynamic Estimation from 2D Graphical Representations of Molecules¶
Blurock, E. (2012). JTHERGAS, Thermodynamic Estimation from 2D Graphical Representations of Molecules. Energy.
Cited by¶
1 citation across 1 artifact.
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Domain-specific¶
- Group contribution method
- The transferable element is the parameterized group description, not a universal claim that each fragment contributes one fixed independent number.
This sourceFirst-person implementation of Benson-style group additivity; its account of Benson's earlier history is secondary.
- The transferable element is the parameterized group description, not a universal claim that each fragment contributes one fixed independent number.
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Registry ID ref:e4f60b57c4e9 · see in the full table