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Volumn 27, Issue 14, 2008, Pages 3399-3402

Singlet and triplet methylene (CH2) plus P4: A computational study

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDIES;

EID: 49349107661     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om800011u     Document Type: Article
Times cited : (16)

References (42)
  • 19
    • 2442506502 scopus 로고    scopus 로고
    • Moss, R. A, Platz, M. S, Jones, M, Jr, Eds, Wiley-Interscience: Hoboken, NJ
    • Jones, M., Jr.; Moss, R. A. In Reactive Intermediate Chemistry; Moss, R. A., Platz, M. S., Jones, M., Jr., Eds.; Wiley-Interscience: Hoboken, NJ, 2004; pp 273-328.
    • (2004) Reactive Intermediate Chemistry , pp. 273-328
    • Jones Jr., M.1    Moss, R.A.2
  • 20
    • 18044371170 scopus 로고    scopus 로고
    • Moss, R. A, Platz, M. S, Jones, M, Jr, Eds, Wiley-Interscience: Hoboken, NJ
    • Bertrand, G. In Reactive Intermediate Chemistry; Moss, R. A., Platz, M. S., Jones, M., Jr., Eds.; Wiley-Interscience: Hoboken, NJ, 2004; pp 329-373.
    • (2004) Reactive Intermediate Chemistry , pp. 329-373
    • Bertrand, G.1
  • 30
    • 49349117477 scopus 로고    scopus 로고
    • A reviewer indicated that density functional theory should be used to examine the reaction coordinate, since DFT often deals well with bond making and bond breaking. Thus, the transition state work was carried out using the B3LYP functional as described in Computational Methods. Reference 31 has a relevant discussion on this point. Thanks to this reviewer for the suggestions and the insights
    • A reviewer indicated that density functional theory should be used to examine the reaction coordinate, since DFT often deals well with bond making and bond breaking. Thus, the transition state work was carried out using the B3LYP functional as described in Computational Methods. Reference 31 has a relevant discussion on this point. Thanks to this reviewer for the suggestions and the insights.
  • 31
    • 2542495781 scopus 로고    scopus 로고
    • Moss, R. A, Platz, M. S, Jones, M, Jr, Eds, Wiley: Hoboken, NJ
    • Borden, W. T. In Reactive Intermediate Chemistry; Moss, R. A., Platz, M. S., Jones, M., Jr., Eds.; Wiley: Hoboken, NJ, 2004; pp 961-1004.
    • (2004) Reactive Intermediate Chemistry , pp. 961-1004
    • Borden, W.T.1
  • 35
    • 49349095642 scopus 로고    scopus 로고
    • 29 Its use has enabled the location of certain optimized silicon-containing structures that were not found with smaller bases. References to the use of this basis in other computations are given in refs 26-28.
    • 29 Its use has enabled the location of certain optimized silicon-containing structures that were not found with smaller bases. References to the use of this basis in other computations are given in refs 26-28.
  • 37
    • 2642705741 scopus 로고
    • Patai, S, Rappoport, Z, Eds, Wiley: New York
    • Corey, J. Y. In The Chemistry of Functional Groups; Patai, S., Rappoport, Z., Eds.; Wiley: New York, 1989; pp 1-56.
    • (1989) The Chemistry of Functional Groups , pp. 1-56
    • Corey, J.Y.1
  • 38
    • 2442561169 scopus 로고    scopus 로고
    • Moss, R. A, Platz, M. S, Jones, M, Jr, Eds, Wiley-Interscience: Hoboken, NJ
    • Tomioka, H. In Reactive Intermediate Chemistry; Moss, R. A., Platz, M. S., Jones, M., Jr., Eds.; Wiley-Interscience: Hoboken, NJ, 2004; pp 375-461.
    • (2004) Reactive Intermediate Chemistry , pp. 375-461
    • Tomioka, H.1
  • 40
    • 49349101667 scopus 로고
    • Ölander, A. http://nobelprize.org/nobel_prizes/chemistry/laureates/ 1956/press.html, 1956.
    • (1956) Ölander, A


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.