Thermochemistry of gas-phase and surface speciesviaLASSO-assisted subgraph selection
Abstract
Graph theory-based regression techniques, such as group additivity, have widely been implemented for fast estimation of thermochemistry of large molecules.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2018
- Source ID
- 10.1039/c7re00210f
Entities
People
- Dionisios G. Vlachos
- Geun Ho Gu
- Petr Plecháč
Organizations
- Defense Advanced Research Projects Agency
- United States Army
- University of Delaware