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Volumn 121, Issue 9, 1999, Pages 1902-1911

Structure and energetics of isomers of the interstellar molecule C5H

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; RADICAL;

EID: 0033541153     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja982532+     Document Type: Article
Times cited : (56)

References (66)
  • 51
    • 0345610446 scopus 로고    scopus 로고
    • note
    • The notation used here to refer to the EOM diagonalization bases indicates the number of one-electron hole (h) and particle (p) states by which the determinant basis differs from the single-determinant anion (EOMIP) or cation (EOMEA) reference. For example, the set of h determinants is composed of all possible determinants produced by removal of a single electron from the reference, while the set of 2ph determinants is produced by removing one electron and adding two electrons to the reference. See rets 52 and 53 for further details.
  • 52
    • 0001925878 scopus 로고
    • Lipkowitz, K. B., Boyd; D. B., Eds.; VCH Publishers: New York, Chapter 2
    • Bartlett, R. J.; Stanton, J. F. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd; D. B., Eds.; VCH Publishers: New York, 1994; Vol. 5, Chapter 2, pp 65-169.
    • (1994) Reviews in Computational Chemistry , vol.5 , pp. 65-169
    • Bartlett, R.J.1    Stanton, J.F.2
  • 53
    • 0001039562 scopus 로고
    • Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, Chapter 16
    • Bartlett, R. J. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; Advanced Series in Physical Chemistry; World Scientific: Singapore, 1995; Vol. 2, Chapter 16, pp 1047-1131.
    • (1995) Advanced Series in Physical Chemistry , vol.2 , pp. 1047-1131
    • Bartlett, R.J.1
  • 57
    • 0345610443 scopus 로고    scopus 로고
    • note
    • Stanton, J. F.; Gauss, J.; Watts, J. D.; Lauderdale, W. J.; Bartlett, R. J. ACES II. The package also contains modified versions of the MOLECULE Gaussian integral program of J. Almlöf and P. R. Taylor, the ABACUS integral derivative program written by T. U. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and P. R. Taylor, and the PROPS property evaluation integral code of P. R. Taylor.
  • 62
    • 0345178391 scopus 로고    scopus 로고
    • note
    • 9 discussed in the text.
  • 66
    • 0345178390 scopus 로고    scopus 로고
    • private communication
    • Gottlieb, C. A., private communication.
    • Gottlieb, C.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.