메뉴 건너뛰기




Volumn 100, Issue 37, 1996, Pages 15105-15110

A comparative study of the gas-phase acidities of aliphatic alcohols and carboxylic acids from generalized valence bond and generalized multistructural calculations

Author keywords

[No Author keywords available]

Indexed keywords


EID: 33748483265     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961120p     Document Type: Article
Times cited : (21)

References (41)
  • 32
    • 33748477979 scopus 로고    scopus 로고
    • The energy lowering of a configuration is defined as the difference in energy when a configuration is deleted from the full configurational list without reoptimizing the coefficients of the remaining configurations
    • The energy lowering of a configuration is defined as the difference in energy when a configuration is deleted from the full configurational list without reoptimizing the coefficients of the remaining configurations.
  • 38
    • 0003955395 scopus 로고
    • Oxford University Press: New York
    • Coulson, C. A. Valence, 2nd ed.; Oxford University Press: New York, 1961.
    • (1961) Valence, 2nd Ed.
    • Coulson, C.A.1
  • 41
    • 0001734964 scopus 로고
    • With this particular choice, the GMS wave function becomes equivalent to the RGVB wave function. See: Voter, A.; Goddard III, W. A. Chem. Phys. 1981, 57, 253.
    • (1981) Chem. Phys. , vol.57 , pp. 253
    • Voter, A.1    Goddard III, W.A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.