Showing results 4 to 5 of 5
Theoretical study of the extremely small torsional barriers of thiophenol in the ground and the first excited electronic states Choi, Heechol; Park, Young Choon; Lee, Yoon Sup; An, Heesun; Baeck, Kyoung Koo, CHEMICAL PHYSICS LETTERS, v.580, pp.32 - 36, 2013-08 |
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 |
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