Quantum mechanical calculation of the OH+HCl→H2O+Cl reaction rate: Full-dimensional accurate, centrifugal sudden, and J-shifting results

Journal of Chemical Physics

Volumn 118, Issue 18, 2003, Pages 8261-8267

  Huarte Larrañaga, Fermín ^a,b   Manthe, Uwe ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMIC PHYSICS; CALCULATIONS; COMPUTER SIMULATION; CORRELATION METHODS; INTERFACIAL ENERGY; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; RATE CONSTANTS; THERMAL EFFECTS;

FLUX CORRELATION FUNCTION FORMALISM; J-SHIFTING APPROXIMATION; QUANTUM MECHANICAL CALCULATION; TOTAL ANGULAR MOMENTUM;

QUANTUM THEORY;

EID: 0038476384     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1565108     Document Type: Article

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