메뉴 건너뛰기




Volumn 118, Issue 14, 1996, Pages 3519-3520

Exploring the boundary between aromatic and olefinic character: Bad news for second-order perturbation theory and density functional schemes

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUND;

EID: 0029912207     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9538400     Document Type: Article
Times cited : (62)

References (17)
  • 7
    • 15844412546 scopus 로고    scopus 로고
    • For geometrical details, see ref 4
    • For geometrical details, see ref 4.
  • 11
    • 15844411235 scopus 로고    scopus 로고
    • MOLPRO is a suite of programs written by H-J. Werner and P. J Knowles, with contributions from J Almlof, R. D. Amos, S. T. Elbert, W. Meyer, E-A. Reinsch, R. M. Pitzer, A. J Stone, and P. R. Taylor
    • MOLPRO is a suite of programs written by H-J. Werner and P. J Knowles, with contributions from J Almlof, R. D. Amos, S. T. Elbert, W. Meyer, E-A. Reinsch, R. M. Pitzer, A. J Stone, and P. R. Taylor
  • 13
    • 15844396336 scopus 로고    scopus 로고
    • Pulay, P TX90, Department of Chemistry and Biochemistry. The University of Arkansas, Fayetteville, Arkansas 72701
    • (a) Pulay, P TX90, Department of Chemistry and Biochemistry. The University of Arkansas, Fayetteville, Arkansas 72701.
  • 15
    • 36549101345 scopus 로고
    • and references therein
    • (c) For a description of the UNO-CAS approach, see: Bofill, J M., Pulay, P. J Chem Phys 1989, 90, 3637 and references therein.
    • (1989) J Chem Phys , vol.90 , pp. 3637
    • Bofill, J.M.1    Pulay, P.2
  • 16
    • 15844362235 scopus 로고    scopus 로고
    • SORE, a direct MP2-R12 code, written by W. Klopper
    • SORE, a direct MP2-R12 code, written by W. Klopper.
  • 17
    • 0041690600 scopus 로고
    • and references therein
    • For a detailed description of the MP2-R12 method, see: Klopper, W. J. Chem. Phys 1995, 102, 6168 and references therein.
    • (1995) J. Chem. Phys , vol.102 , pp. 6168
    • Klopper, W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.