The IEF version of the PCM solvation method: An overview of a new method addressed to study molecular solutes at the QM ab initio level

Journal of Molecular Structure: THEOCHEM

Volumn 464, Issue 1-3, 1999, Pages 211-226

  Tomasi, J ^a   Mennucci, B ^a   Cances E ^b  

^a UNIVERSITY OF PISA   (Italy)

^b UNIVERSITÉ PARIS EST   (France)

Author keywords

Electric properties; Electronic transitions; Free energy gradients; Integral equation formalism; Model; Solvation

Indexed keywords

SOLVENT;

CONFERENCE PAPER; ELECTRONICS; ENERGY; GEOMETRY; LIQUID; MOLECULAR INTERACTION; POLARIZATION; QUANTUM MECHANICS; SOLVATION;

EID: 84962428823     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00553-3     Document Type: Conference Paper

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