Showing results 7 to 9 of 9
Potential energy interpolation with target-customized weighting coordinates: application to excited-state dynamics of photoactive yellow protein chromophore in water Kim, Seung Soo; Rhee, Young Min, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.26, no.11, pp.9021 - 9036, 2024-03 |
Quantum mechanics based force field for carbon (QMFF-Cx) validated to reproduce the mechanical and thermodynamics properties of graphite Pascal, Tod A.; Karasawa, Naoki; Goddard, William A., III, JOURNAL OF CHEMICAL PHYSICS, v.133, no.13, 2010-10 |
Structures and properties of self-assembled monolayers of bistable [2]rotaxanes on Au(111) surfaces from molecular dynamics simulations validated with experiment Jang, SS; Jang, YH; Kim, Yong-Hoon; Goddard, WA; Flood, AH; Laursen, BW; Tseng, HR; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.127, no.5, pp.1563 - 1575, 2005-02 |
Discover