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Volumn 103, Issue 48, 1999, Pages 9913-9920

Benzyne Thermochemistry: A Benchmark ab Initio Study

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Indexed keywords


EID: 0033518322     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp991919b     Document Type: Article
Times cited : (71)

References (42)
  • 23
    • 85034149092 scopus 로고    scopus 로고
    • The structures, energetics and the harmonic frequencies listed for the species
    • The structures, energetics and the harmonic frequencies listed for the species are available on http://www.teokem.lu.se/̃roland/benzyne/harm.
  • 33
    • 85034128399 scopus 로고    scopus 로고
    • note
    • Molpro is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, S. T. Elbert, C. Hampel, R. Lindh, A. W. Lloyd, W. Meyer, A. Nicklass, K. Peterson, R. Pitzer, M. Schütz, A. J. Stone, P. R. Taylor, M. E. Mura, P. Pulay, H. Stoll, and T. Thorsteinsson.
  • 34
    • 85045557400 scopus 로고
    • The complete active space self-consistent field method and its applications in electronic structure calculations
    • Lawley, K. P., Ed.; John Wiley & Sons Ltd.: Chichester, England; Chapter 69
    • Roos, B. O. The complete active space self-consistent field method and its applications in electronic structure calculations. In: Advances in Chemical Physics; Ab Initia Methods in Quantum Chemistry-II; Lawley, K. P., Ed.; John Wiley & Sons Ltd.: Chichester, England, 1987; Chapter 69, p 399.
    • (1987) Advances in Chemical Physics; Ab Initia Methods in Quantum Chemistry - II , pp. 399
    • Roos, B.O.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.