| 1 |
The charger transfer electronic coupling in diabatic perspective: A multi-state density functional theory study
Guo XW, Qu ZX, Gao JL
Chemical Physics Letters, 691, 91, 2018 |
| 2 |
Ab initio interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions
Thompson K, Martinez TJ
Journal of Chemical Physics, 110(3), 1376, 1999 |
| 3 |
Simulations of condensed phase photochemistry: Cage effect and internal conversion in azoalkanes and nitrosamines
Cattaneo P, Granucci G, Persico M
Journal of Physical Chemistry A, 103(18), 3364, 1999 |
| 4 |
An ab initio study of specific solvent effects on the electronic coupling element in electron transfer reactions
Henderson TM, Cave RJ
Journal of Chemical Physics, 109(17), 7414, 1998 |
| 5 |
Calculation of Electronic Coupling Matrix-Elements for Ground and Excited-State Electron-Transfer Reactions - Comparison of the Generalized Mulliken-Hush and Block Diagonalization Methods
Cave RJ, Newton MD
Journal of Chemical Physics, 106(22), 9213, 1997 |
| 6 |
On the Vacuum-Ultraviolet Radical Photolysis CH2(1(3)B(1))+h-Nu-)CH(A(2)Delta)+h(1(2)S) - A Combined Experimental and Theoretical Investigation
Kassner C, Stuhl F, Luo M, Lehner M, Fink R, Jungen M
Journal of Chemical Physics, 105(11), 4605, 1996 |
| 7 |
On the Consequences of Nonremovable Derivative Couplings .1. The Geometric Phase and Quasidiabatic States - A Numerical Study
Yarkony DR
Journal of Chemical Physics, 105(23), 10456, 1996 |
| 8 |
Avoided Crossings in Potential Curves of Bf2+ - A Study of Models for Bonding in Diatomic Dications
Kolbuszewski M, Wright JS, Buenker RJ
Journal of Chemical Physics, 102(19), 7519, 1995 |
| 9 |
Quasidiabatic States for Intramolecular Charge-Transfer - Application to the Protonation of NH3
Petsalakis ID, Theodorakopoulos G, Nicolaides CA
Journal of Chemical Physics, 100(8), 5870, 1994 |
| 10 |
Compact Valence-Bond Functions with Breathing Orbitals - Application to the Bond-Dissociation Energies of F2 and Fh
Hiberty PC, Humbel S, Byrman CP, Vanlenthe JH
Journal of Chemical Physics, 101(7), 5969, 1994 |
