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Volumn 114, Issue 49, 2010, Pages 16427-16435

Specific features of the dielectric continuum solvation model with a position-dependent permittivity function

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC PROPERTIES; ELECTROMAGNETISM; PERMITTIVITY; POISSON EQUATION; SOLVATION;

EID: 78650161095     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp103239g     Document Type: Article
Times cited : (6)

References (13)
  • 4
    • 84906385366 scopus 로고    scopus 로고
    • Relation 1 was originally termed the D - G theorem. (2, 3) We adapt our terminology to the present notation
    • Relation 1 was originally termed the D - G theorem. (2, 3) We adapt our terminology to the present notation.
  • 6
    • 84906399577 scopus 로고    scopus 로고
    • Including the external part of the solute charges together with the polarization charge g for a computation of the response field Φ is important when the electrostatic computation of Φ is combined with the ab initio quantum-chemical computation of ρ (the so-called self-consistent reaction field (SCRF) procedure). Realization of this idea in the frame of the conventional PCM (polarizable continuum model) scheme (10) requires a rather complicated special computation
    • Including the external part of the solute charges together with the polarization charge g for a computation of the response field Φ is important when the electrostatic computation of Φ is combined with the ab initio quantum-chemical computation of ρ (the so-called self-consistent reaction field (SCRF) procedure). Realization of this idea in the frame of the conventional PCM (polarizable continuum model) scheme (10) requires a rather complicated special computation.
  • 9
    • 0003458539 scopus 로고
    • Wiley-Interscience: New York,; Chapter 4, Section 1
    • Courant, R. Partial Differential Equations; Wiley-Interscience: New York, 1962; Chapter 4, Section 1.
    • (1962) Partial Differential Equations
    • Courant, R.1
  • 13


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.