Geometry optimization of molecular structures in solution by the polarizable continuum model

Journal of Computational Chemistry

Volumn 19, Issue 4, 1998, Pages 404-417

  Barone, Vincenzo ^a   Cossi, Maurizio ^a   Tomasi, Jacopo ^b  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b UNIVERSITY OF PISA   (Italy)

Author keywords

Density functionals; Fixed cavity; Geometry optimization; Mobile cavity; Polarizable continuum model

Indexed keywords

EID: 84962428785     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199803)19:4<404::AID-JCC3>3.0.CO;2-W     Document Type: Article

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