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Volumn 101, Issue 26, 1997, Pages 4761-4769

Gas phase and aqueous thermochemistry of hydrazine and related radicals and the energy profiles of reactions with H• and OH•: An ab initio study

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); CALCULATIONS; CHEMICAL BONDS; DISSOCIATION; ENTHALPY; FREE RADICALS; IONS; PROTONS;

EID: 0031163217     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp964057c     Document Type: Article
Times cited : (26)

References (46)
  • 1
    • 0013529726 scopus 로고
    • University of Calgary Press: Calgary, Canada
    • Swaddle, T. W. Applied Inorganic Chemistry; University of Calgary Press: Calgary, Canada, 1990; p 231.
    • (1990) Applied Inorganic Chemistry , pp. 231
    • Swaddle, T.W.1
  • 3
    • 33748619531 scopus 로고    scopus 로고
    • private communication
    • Buxton, G. V.; Stuart, C. R. J. Chem., Soc. Faraday Trans. 1996, 92, 1519. G. V. Buxton, private communication.
    • Buxton, G.V.1
  • 16
    • 0011083273 scopus 로고    scopus 로고
    • The uniform scale factor of 0.95 for thermodynamic calculations was adopted. After this paper had been submitted, it was shown (Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502) that the use of different scale factors are appropriate in different parts of the calculation and that these factors fall in the range 0.96-1.00 for the B3LYP/6-31G(D) procedure. No factors are available for our B3LYP/6-31+G(D,P) procedure.
    • (1996) J. Phys. Chem. , vol.100 , pp. 16502
    • Scott, A.P.1    Radom, L.2
  • 43
    • 33845471223 scopus 로고
    • Payzant, J. D.; Cunningham, A. J.; Kebarle, P. Can. J. Chem. 1993, 71, 1368. M. Meot-Ner, J. Am. Chem. Soc. 1984, 106, 1265.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 1265
    • Meot-Ner, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.