Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: A Litmus Test for Cost-Effective Molecular Formation Enthalpies

Journal of Physical Chemistry A

Volumn 119, Issue 28, 2015, Pages 7235-7246

  Simmie, John M ^a   Somers, Kieran P ^a  

^a NATIONAL UNIVERSITY OF IRELAND   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION; C (PROGRAMMING LANGUAGE); COST EFFECTIVENESS; ENTHALPY;

1 ,3-CYCLOPENTADIENE; ACCURACY AND PRECISION; ATOMIZATION ENERGIES; COMBUSTION CHEMISTRY; ENTHALPIES OF FORMATION; MEAN UNSIGNED ERRORS; ROOT MEAN SQUARED DEVIATIONS; STATISTICAL MEASURES;

ELECTRIC CIRCUIT BREAKERS;

EID: 84937119294     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp511403a     Document Type: Article

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