Electronic structure theory study of the F- + CH3I → FCH3 + I- Potential Energy Surface

Journal of Physical Chemistry A

Volumn 114, Issue 36, 2010, Pages 9635-9643

  Zhang, Jiaxu ^a   Hase, William L ^a  

^a TEXAS TECH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CCSD; CCSD CALCULATIONS; COMPLETE BASIS SET LIMIT; DFT CALCULATION; EFFECTIVE CORE POTENTIAL; ELECTRONIC STRUCTURE THEORY; EXPERIMENTAL VALUES; FUNCTIONALS; ION-DIPOLE COMPLEXES; LATTER COMPLEXES; POTENTIAL ENERGY CURVES; REACTION EXOTHERMICITY; STATIONARY POINTS; TRANSITION STATE;

ELECTRIC CIRCUIT BREAKERS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; IODINE; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; REACTION KINETICS;

POTENTIAL ENERGY;

EID: 77956542054     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1002337     Document Type: Article

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