What are the best affordable multi-coefficient strategies for calculating transition state geometries and barrier heights?

Journal of Physical Chemistry A

Volumn 106, Issue 5, 2002, Pages 842-846

  Lynch, Benjamin J ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

TRANSITION STATE GEOMETRIES;

CORRELATION METHODS; COST EFFECTIVENESS; ELECTRON ENERGY LEVELS; ENTHALPY; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

ELECTRONIC STRUCTURE;

EID: 0037034431     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp014002x     Document Type: Article

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