Small representative benchmarks for thermochemical calculations

Journal of Physical Chemistry A

Volumn 107, Issue 42, 2003, Pages 8996-8999

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

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; BARRIER HEIGHTS; DATA SETS; QUADRATIC CONFIGURATION INTERACTION; THERMOMECHANICAL CALCULATIONS;

ATOMIZATION; CORRELATION METHODS; LEAST SQUARES APPROXIMATIONS; NUMERICAL ANALYSIS; OPTIMIZATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

THERMOMECHANICAL TREATMENT;

EID: 0242573642     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp035287b     Document Type: Article

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