I Wayan Sudiarta
Affiliation: Dalhousie University
- Interaction energy of a water molecule with a single-layer graphitic surface modeled by hydrogen- and fluorine-terminated clustersI Wayan Sudiarta
Department of Physics and Atmospheric Science, Dalhousie University, Halifax, NS B3H 3J5 Canada
J Phys Chem A 110:10501-6. 2006..39 and -2.49 kcal/mol for C(6n2)H(6n) and C(6n2)F(6n) cluster models, respectively. For water mode B, the interaction energies are -2.32 and -2.44 kcal/mol for C(6n2)H(6n) and C(6n2)F(6n) cluster models, respectively...