TY  - JOUR 
AU  - Gómez Carrasco, Susana Raquel
AU  - Félix González, Daniel
AU  - Aguado, Alfredo
AU  - Roncero, Octavio
PY  - 2022
UR  - http://hdl.handle.net/10366/169524
AB  - [EN]The cross section and rate constants for the title reaction are calculated for all the spin–orbit states of using two statistical approaches, one purely adiabatic and the other one mixing quantum capture for the entrance channel and adiabatic...
LA  - eng
KW  - Ab-initio methods
KW  - Potential energy surfaces
KW  - Spin-orbit interactions
KW  - Statistical models
KW  - Numerical methods
KW  - Propagation matrix
KW  - Reaction rate constants
KW  - Complete-active space self-consistent field
TI  - Spin-orbit transitions in the N+(3P JA)+H2 → NH+(X2Π, 4Σ-) + H(2S) reaction, using adiabatic and mixed quantum-adiabatic statistical approaches
DO  - 10.1063/5.0102376
T2  - The Journal of Chemical Physics
VL  - 157
M2  - 084301-1
ER  -