TY  - JOUR 
AU  - Gómez Carrasco, Susana Raquel
AU  - Aguado, Alfredo
AU  - Paniagua, Miguel
AU  - Roncero, Octavio
PY  - 2006
SN  - 0021-9606
UR  - http://hdl.handle.net/10366/169555
AB  - [EN]An energy-based method is proposed for the diabatization of the OH((2)Pi)+F(P-2)-> O(P-3)+HF((1)Sigma(+)) reaction. It is demonstrated that the diabatic representation obtained is regularized, i.e., the residual derivative couplings do not present...
LA  - eng
PB  - AIP Publishing
KW  - Transition state dynamics
KW  - Electronic states
KW  - Born Oppenheimer
KW  - Rate constant
KW  - OHF
TI  - Coupled diabatic potential energy surfaces for studying the nonadiabatic dynamics at conical intersections in angular resolved photodetachment simulations of OHF−→OHF+e−
DO  - 10.1063/1.2363988
T2  - The Journal of Chemical Physics
VL  - 125
ER  -