Ab initio study of solvated molecules: A new implementation of the polarizable continuum model
作者： Maurizio Cossi , Vincenzo Barone , Roberto Cammi , Jacopo Tomasi
DOI: 10.1016/0009-2614(96)00349-1
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摘要: … delicate steps in defining a continuum solvation model. It has … The GEPOL procedure, used by many continuum solvation … Lastly, as the calculation of ffdis-rep with the procedure of ref. […
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