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Volumn 135, Issue 7, 2011, Pages

CCSD-PCM: Improving upon the reference reaction field approximation at no cost

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EFFICIENCY; CONTINUUM MECHANICS; FREE ENERGY; GASES; NUMERICAL METHODS; PERTURBATION TECHNIQUES;

EID: 84962468899     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3624373     Document Type: Article
Times cited : (44)

References (37)
  • 1
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    • Coupled-cluster theory in quantum chemistry
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    • (2007) Reviews of Modern Physics , vol.79 , Issue.1 , pp. 291-352
    • Bartlett, R.J.1    Musial, M.2
  • 11
    • 84962476309 scopus 로고    scopus 로고
    • 10.1063/1.3245400
    • R. Cammi, J. Chem. Phys. 131, 164104 (2009). 10.1063/1.3245400
    • (2009) J. Chem. Phys. , vol.131 , pp. 164104
    • Cammi, R.1
  • 15
    • 84961980477 scopus 로고    scopus 로고
    • Quantum mechanical continuum solvation models
    • DOI 10.1021/cr9904009
    • J. Tomasi, B. Mennucci, and R. Cammi, Chem. Rev. 105, 2999 (2005). 10.1021/cr9904009 (Pubitemid 41222791)
    • (2005) Chemical Reviews , vol.105 , Issue.8 , pp. 2999-3093
    • Tomasi, J.1    Mennucci, B.2    Cammi, R.3
  • 26
    • 84962398864 scopus 로고    scopus 로고
    • The free energy status derives from the work spent to polarize the solvent, (Ref.) and does not include any thermal contribution from the solute (Ref.).
    • The free energy status derives from the work spent to polarize the solvent, (Ref.) and does not include any thermal contribution from the solute (Ref.).
  • 31
    • 84890021933 scopus 로고
    • 10.1080/00268977000101561
    • S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970). 10.1080/00268977000101561
    • (1970) Mol. Phys. , vol.19 , pp. 553
    • Boys, S.F.1    Bernardi, F.2
  • 35
    • 0000189651 scopus 로고
    • 10.1063/1.464913
    • A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.