On-the-fly ab initio trajectory calculations of the dynamics of Cl atom reactions with methane, ethane and methanol

Journal of Chemical Physics

Volumn 120, Issue 1, 2004, Pages 186-198

  Rudić, Svemir ^a   Murray, Craig ^a   Harvey, Jeremy N ^a   Orr Ewing, Andrew J ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMIC PHYSICS; CHEMICAL BONDS; CHLORINE; ETHANE; GROUND STATE; HYDROCHLORIC ACID; KINEMATICS; METHANE; METHANOL; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; QUANTUM THEORY; REACTION KINETICS;

DIPOLE MOMENT; RADICAL INTERNAL ENERGY;

MOLECULAR DYNAMICS;

EID: 0942299404     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1629670     Document Type: Article

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