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Volumn 29, Issue 5, 2010, Pages 1107-1116

Formation of phosphaalkyne trimers: A mechanistic study

Author keywords

[No Author keywords available]

Indexed keywords

BULKY SUBSTITUENTS; CARBENOIDS; CBS-QB3; CCSD; CHEMICAL STRUCTURE; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; GLOBAL MINIMA; LOW ENERGIES; MECHANISTIC STUDIES; PHOSPHAALKYNE; REACTION BARRIERS; REACTION PATHWAYS; RELATIVE STABILITIES; STABLE ISOMERS;

EID: 77749270860     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om900812s     Document Type: Article
Times cited : (5)

References (77)
  • 4
    • 0002993515 scopus 로고
    • Phosphaalkynes-starting point for the phosphorus-cage compounds
    • Stang, P. J., Dietrich, F., Eds.; VCH: Weinheim, Germany
    • (d) Regitz, M.; Hoffman, A.; Bergstrasser, U. Phosphaalkynes-Starting Point for the Phosphorus-Cage Compounds. In Modern Acetylene Chemistry; Stang, P. J., Dietrich, F., Eds.; VCH: Weinheim, Germany, 1995; p 173.
    • (1995) Modern Acetylene Chemistry , pp. 173
    • Regitz, M.1    Hoffman, A.2    Bergstrasser, U.3
  • 25
    • 0013198505 scopus 로고    scopus 로고
    • The fascinating chemistry of 1,3,5-triphospinines and valence isomers
    • Springer-Verlag: Berlin
    • Heidt, H. The Fascinating Chemistry of 1,3,5-triphospinines and Valence Isomers. In Topics in Current Chemistry; Springer-Verlag: Berlin, 2003; Vol.223.
    • (2003) Topics in Current Chemistry , vol.223
    • Heidt, H.1
  • 33
    • 0041965404 scopus 로고    scopus 로고
    • Chemistry of phosphanylidene carbenoids
    • Springer-Verlag: Berlin
    • Yoshifuji, M.; Ito, S. Chemistry of Phosphanylidene Carbenoids. In Topics in Current Chemistry; Springer-Verlag: Berlin, 2003; Vol.223, p 67.
    • (2003) Topics in Current Chemistry , vol.223 , pp. 67
    • Yoshifuji, M.1    Ito, S.2
  • 55
  • 77
    • 77749292696 scopus 로고    scopus 로고
    • For economic reasons compounds bearing tert-butyl substituents were optimized and the zero point energy and thermal corrections were obtained at the B3LYP/6-31+G* level of theory, while accurate electronic energies were computed using the LCCSD(T)/6-311G** method.
    • For economic reasons compounds bearing tert-butyl substituents were optimized and the zero point energy and thermal corrections were obtained at the B3LYP/6-31+G* level of theory, while accurate electronic energies were computed using the LCCSD(T)/6-311G** method.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.