Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method

Journal of Computational Chemistry

Volumn 19, Issue 3, 1998, Pages 290-299

  Mineva, Tzonka ^a   Russo, Nino ^a   Sicilia, Emilia ^a  

^a UNIVERSITY OF CALABRIA   (Italy)

Author keywords

Density functional; Hydration energy; Polarizable continuum model (PCM); Reaction profiles; Solvation

Indexed keywords

EID: 84962429297     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199802)19:3<290::AID-JCC3>3.0.CO;2-O     Document Type: Article

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