TY  - JOUR 
AU  - Menéndez, Marta
AU  - Veselinova Marinova, Anzhela
AU  - Zanchet, Alexandre
AU  - García Jambrina, Pablo
AU  - Aoíz Moleres, Francisco Javier
PY  - 2024
SN  - 1463-9076
UR  - http://hdl.handle.net/10366/166341
AB  - [EN] We present here extensive calculations of the O(3P) + H2 and O(3P) + D2 reaction dynamics spanning the temperature range from 200 K to 2500 K. The calculations have been carried out using fully converged time-independent quantum mechanics (TI...
LA  - eng
PB  - Royal Society of Chemistry
KW  - Reaction dynamics
KW  - Computational chemistry
TI  - Rate coefficients for the O + H2 and O + D2 reactions: how well ring polymer molecular dynamics accounts for tunelling
DO  - 10.1039/D4CP01711K
T2  - Physical Chemistry Chemical Physics
VL  - 26
M2  - 20947
ER  -