Correction of cavity-induced errors in polarization charges of continuum solvation models

Journal of Computational Chemistry

Volumn 19, Issue 8, 1998, Pages 833-846

  Cossi, Maurizio ^a   Mennucci, Benedetta ^b   Pitarch, Jesus ^c   Tomasi, Jacopo ^b  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b UNIVERSITY OF PISA   (Italy)

^c UNIVERSITY OF VALENCIA   (Spain)

Author keywords

Ab initio calculations; Cavity errors; Continuum solvation models; Solute solvent interactions; Solvation free energy

Indexed keywords

EID: 84962408617     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199806)19:8<833::AID-JCC3>3.0.CO;2-Q     Document Type: Article

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