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Volumn 129, Issue 17, 2007, Pages 5587-5596

Heterolytic activation of H-X (X = H, Si, B, and C) bonds: An experimental and theoretical investigation

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CHEMICAL BONDS; COMPUTATIONAL METHODS; METHANE;

EID: 84962449217     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja069044j     Document Type: Article
Times cited : (51)

References (93)
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    • (c) Peruzzini, M., Poli, R., Eds. Recent Advances in Hydride Chemistry; Elsevier: Amsterdam, 2001.
    • (2001) Recent Advances in Hydride Chemistry
  • 40
    • 0001333743 scopus 로고    scopus 로고
    • 4 salt).
    • 4 salt).
  • 41
    • 84962372963 scopus 로고    scopus 로고
    • Gaussian, Inc, Wallingford, CT
    • Frisch, M. J.; et al. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
    • (2004) Gaussian 03, revision , Issue.C.02
    • Frisch, M.J.1
  • 50
    • 33845883717 scopus 로고    scopus 로고
    • Vrije Universiteit: Amsterdam, The Netherlands
    • (a) ADF2005.01; SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands, http://www.scm.com.
    • (2005) 01; SCM, Theoretical Chemistry
    • ADF1
  • 64
    • 2542504773 scopus 로고    scopus 로고
    • 2(g): refs 3e-g, 4f, and 27. (a) Gilbertson, J. D.; Szymczak, N. K.; Tyler, D. R. Inorg. Chem. 2004, 43, 3341-3343.
    • 2(g): refs 3e-g, 4f, and 27. (a) Gilbertson, J. D.; Szymczak, N. K.; Tyler, D. R. Inorg. Chem. 2004, 43, 3341-3343.
  • 66
    • 84962337587 scopus 로고    scopus 로고
    • 1H} NMR spectroscopy. No change in the spectral properties of complex 1 was noted even after 2 days.
    • 1H} NMR spectroscopy. No change in the spectral properties of complex 1 was noted even after 2 days.
  • 84
    • 84962370071 scopus 로고    scopus 로고
    • 2 molecule has been optimized at the same level of theory (B3LYP/ LANL2DZ). The H-H distance thus obtained is 0.744 Å.
    • 2 molecule has been optimized at the same level of theory (B3LYP/ LANL2DZ). The H-H distance thus obtained is 0.744 Å.
  • 85
    • 84962442373 scopus 로고    scopus 로고
    • H-H distance = 0.7414 Å; source: CRC Handbook of Chemistry and Physics, 80th ed.; CRC Press: Boca Raton-Ann Arbor-Boston, 1999-2000.
    • H-H distance = 0.7414 Å; source: CRC Handbook of Chemistry and Physics, 80th ed.; CRC Press: Boca Raton-Ann Arbor-Boston, 1999-2000.
  • 87
  • 91
    • 0003877758 scopus 로고
    • 72nd ed, CRC Press: Boca Raton-Ann Arbor-Boston
    • CRC Handbook of Chemistry and Physics, 72nd ed.; CRC Press: Boca Raton-Ann Arbor-Boston, 1991-1992.
    • (1991) CRC Handbook of Chemistry and Physics


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.