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Volumn 109, Issue 47, 2005, Pages 22570-22580

Theoretical studies of the hydroxide-catalyzed P-O cleavage reactions of neutral phosphate triesters and diesters in aqueous solution: Examination of the changes induced by H/Me substitution

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSTS; CONTINUUM MECHANICS; DIELECTRIC PROPERTIES; ENTHALPY; HYDROLYSIS; NEGATIVE IONS; PH EFFECTS; PROTONS; SOLUTIONS;

EID: 84961976175     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0550558     Document Type: Article
Times cited : (49)

References (74)
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    • Sinnot, M. L., Ed.; Academic Press: London
    • Hengge, A. C. In Comprehensive Biological Catalysis', Sinnot, M. L., Ed. ; Academic Press: London, 1998; Vol. I, pp 517-542.
    • (1998) Comprehensive Biological Catalysis' , vol.1 , pp. 517-542
    • Hengge, A.C.1
  • 17
    • 84962447415 scopus 로고    scopus 로고
    • note
    • 18-20
  • 34
  • 52
  • 55
    • 84962399130 scopus 로고    scopus 로고
    • note
    • MPE calculations show that proton transfer still occurs when two explicit water molecules are included in the system.
  • 56
    • 84962399129 scopus 로고    scopus 로고
    • note
    • 33 which may erroneously lead to the location of a minimum on the rather flat reaction surface. However, even though this dianionic species does exist as a stable intermediate, the energy barrier for its dissociation to either reactants or products is certainly so small that the surface would still appear to be concerted in many kinetic experiments.
  • 61
    • 84962392253 scopus 로고    scopus 로고
    • note
    • ‡ are not significantly affected when the methyl group is replaced by the neopentyl system.
  • 63
    • 29144462414 scopus 로고
    • Banford, C. H., Tepper. C. F. H., Eds.; Elsevier: New York
    • Benkovic S. J. In Comprehensive Chemical Kinetics; Banford, C. H., Tepper. C. F. H., Eds.; Elsevier: New York, 1972; Vol. 10, pp 1-56.
    • (1972) Comprehensive Chemical Kinetics , vol.10 , pp. 1-56
    • Benkovic, S.J.1
  • 71
    • 84962442323 scopus 로고    scopus 로고
    • note
    • BT) where kg is the Boltzmann constant, T is the absolute temperature, h is the Planck constant, and ΔG is the activation free energy.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.