Showing results 1 to 2 of 2
Constructing polyatomic potential energy surfaces by interpolating diabatic Hamiltonian matrices with demonstration on green fluorescent protein chromophore Park, Jae Woo; Rhee, Young Min, JOURNAL OF CHEMICAL PHYSICS, v.140, no.16, 2014-04 |
Towards the Realization of Ab Initio Dynamics at the Speed of Molecular Mechanics: Simulations with Interpolated Diabatic Hamiltonian Park, Jae Woo; Rhee, Young Min, CHEMPHYSCHEM, v.15, no.15, pp.3183 - 3193, 2014-10 |
Discover