Influence of spin-orbit effects on chemical reactions: Quantum scattering studies for the Cl(2P) + HCl → ClH + Cl(2P) reactions using coupled ab initio potential energy surfaces

Journal of Physical Chemistry A

Volumn 107, Issue 37, 2003, Pages 7278-7289

  Schatz, George C ^a   Hankel, Marlies ^b   Whiteley, T W J ^c   Connor, J N L ^b  

^a NORTHWESTERN UNIVERSITY   (United States)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

^c Syrris Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL REACTIONS; ELECTRON RESONANCE; ELECTRON SCATTERING; GROUND STATE; INTERFACIAL ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NUCLEAR PROPERTIES; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

MULTIREFERENCE CONFIGURATION INTERACTION; QUANTUM NUMBER; QUANTUM SCATTERING; SPIN-ORBIT EFFECTS;

QUANTUM THEORY;

EID: 0141793956     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034680e     Document Type: Article

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