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pro vyhledávání: '"J. Roger Mines"'
Publikováno v:
Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 84:1911
A method for the calculation of molecular solvation energies that takes into account both the molecular geometry and the partial atomic charges is presented. A van der Waals sphere is placed at each atomic centre and the molecular surface is taken to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc275bf7f1fc4cb0cab97f76367e2d72
https://doi.org/10.1039/f19888401911
https://doi.org/10.1039/f19888401911
Publikováno v:
Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; Jun1988, Vol. 84 Issue 6, p1911-1917, 7p