Quantum calculations of the rate constant for the O(3P)+HCl reaction on new ab initio 3A″ and 3A′ surfaces

Journal of Chemical Physics

Volumn 119, Issue 18, 2003, Pages 9601-9608

  Xie, Tiao ^a   Bowman, Joel M ^a   Peterson, K A ^b   Ramachandran, B ^c  

^a EMORY UNIVERSITY   (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

^c Louisiana Tech University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; HIGH TEMPERATURE EFFECTS; NUMERICAL ANALYSIS; PHASE TRANSITIONS; RATE CONSTANTS; SCATTERING; THERMAL EFFECTS; VAN DER WAALS FORCES;

QUANTUM REACTIVE SCATTERING; TOTAL ANGULAR MOMENTUM; VARIATIONAL TRANSITION STATE THEORY;

QUANTUM THEORY;

EID: 0345475380     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1612918     Document Type: Article

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