Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on Graphene
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Mar 12, 2019
- Source ID
- 10.1021/acs.jctc.9b00110
Entities
People
- Adeayo O. Ajala
- Filipp Furche
- Francesco Paesani
- Narbe Mardirossian
- Vamsee Voora
Organizations
- Air Force Office of Scientific Research
- California Institute of Technology
- Division of Chemistry
- University of California
- University of California, San Diego