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Volumn 18, Issue 8, 1997, Pages 1061-1071

Energy components of aqueous solution: Insight from hybrid QM/MM simulations using a polarizable-solvent model

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EID: 5244276541     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199706)18:8<1061::AID-JCC10>3.0.CO;2-G     Document Type: Article
Times cited : (110)

References (74)
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    • For reviews, see: (a) J. Gao, In Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH, New York, 1995, pp. 119-185 (b) A. Warshel, Computer Modeling of Chemical Reactions in Enzymes and in Solutions, John Wiley & Sons, New York, 1991.
    • (1995) Reviews in Computational Chemistry , pp. 119-185
    • Gao, J.1
  • 46
    • 0038391194 scopus 로고
    • D. A. Smith, Ed., ACS Symposium Series 569, American Chemical Society, Washington, DC
    • (a) J. Gao, In Modeling the Hydrogen Bond, D. A. Smith, Ed., ACS Symposium Series 569, American Chemical Society, Washington, DC, 1994, pp. 8-20
    • (1994) Modeling the Hydrogen Bond , pp. 8-20
    • Gao, J.1
  • 48
    • 85033163040 scopus 로고    scopus 로고
    • note
    • s). Substituting eq. (7) into the third term yields the two components given in eqs. (5) and (6).
  • 55
    • 0041417956 scopus 로고    scopus 로고
    • personal communication
    • M. A. Thompson, personal communication; also see: M. A. Thompson, J. Phys. Chem. 100, 14492 (1996).
    • Thompson, M.A.1
  • 56
    • 0041417956 scopus 로고    scopus 로고
    • M. A. Thompson, personal communication; also see: M. A. Thompson, J. Phys. Chem. 100, 14492 (1996).
    • (1996) J. Phys. Chem. , vol.100 , pp. 14492
    • Thompson, M.A.1
  • 63
    • 0001888675 scopus 로고
    • QCPE Program 455
    • (b) J. J. P. Stewart, QCPE Bull. 10, 86 (1990); QCPE Program 455.
    • (1990) QCPE Bull. , vol.10 , pp. 86
    • Stewart, J.J.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.