An assessment of theoretical procedures for the calculation of reliable free radical thermochemistry: A recommended new procedure

Journal of Chemical Physics

Volumn 108, Issue 2, 1998, Pages 604-615

  Mayer, Paul M ^a,b   Parkinson, Christopher J ^a   Smith, David M ^a   Radom, Leo ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

^b UNIVERSITY OF OTTAWA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000028487     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476256     Document Type: Article

References (35)

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35. Note that the d-orbital exponents do not have their standard values. Therefore, the CBSBn keyword should be used when defining the basis set in GAUSSIAN 94.