Browse by Subject MULTIREFERENCE PERTURBATION-THEORY

Showing results 1 to 6 of 6

1
Diabatic Population Matrix Formalism for Performing Molecular Mechanics Style Simulations with Multiple Electronic States

Park, Jae Woo; Rhee, Young Min, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.10, no.12, pp.5238 - 5253, 2014-12

2
Dynamics on the Electronically Excited State Surface of the Bioluminescent Firefly Luciferase-Oxyluciferin System

Song, Chang-ik; Rhee, Young Min, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.133, no.31, pp.12040 - 12049, 2011-08

3
Emission shaping in fluorescent proteins: role of electrostatics and pi-stacking

Park, Jae Woo; Rhee, Young Min, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.5, pp.3944 - 3955, 2016-02

4
On the structure of Si(100) surface: Importance of higher order correlations for buckled dimer

Back, Seoin; Schmidt, Johan A.; Ji, Hyunjun; Heo, Jiyoung; Shao, Yihan; Jung, Yousung, JOURNAL OF CHEMICAL PHYSICS, v.138, no.20, 2013-05

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

6
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

rss_1.0 rss_2.0 atom_1.0