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Volumn 51, Issue 39, 2010, Pages 5185-5190

A general equation correlating intramolecular rates with 'attack' parameters: Distance and angle

Author keywords

DFT calculations; Enzyme catalysis; Intramolecularity; Proton transfer reactions; Proximity orientation

Indexed keywords

ARTICLE; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; DISTANCE BETWEEN TWO REACTIVE CENTER; ENERGY; GEOMETRY; HYDROGEN BONDING ANGLE; MATHEMATICAL PARAMETERS; PROTON TRANSPORT;

EID: 77956229171     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tetlet.2010.07.137     Document Type: Article
Times cited : (22)

References (66)
  • 1
    • 77956939611 scopus 로고
    • 3rd ed. E.A. P.D. Boyer, Academic Press New York.
    • K.R. Hanson, and E.A. Havir 3rd ed. P.D. Boyer, The Enzymes Vol. 7 1972 Academic Press New York 75
    • (1972) The Enzymes , vol.7 , pp. 75
    • Hanson, K.R.1    Havir, E.A.2
  • 65
    • 77956229139 scopus 로고    scopus 로고
    • For details of the calculation methods, see: Supplementary data
    • For details of the calculation methods, see: Supplementary data. http://www.gaussian.com.
  • 66
    • 0011504975 scopus 로고
    • An energy of 5 kcal/mol was needed to rotate the carboxyl group such that the hydrogen bonding angle increases from 48° to 88°. T.H. Fife, and T.J. Przystas J. Am. Chem. Soc. 101 1979 1202
    • (1979) J. Am. Chem. Soc. , vol.101 , pp. 1202
    • Fife, T.H.1    Przystas, T.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.