Multipole expansions of the electrostatic molecular potential up to the hexadecapole terms are examined for H20, NH 3 and C2H~NH. A reasonable approximation to get unexpensive first order representations of the electrostatic potential for regions outside the van der Waals volume is found.
Multipole expansions of the electrostatic molecular potential
CIMIRAGLIA, Renzo;
1974
Abstract
Multipole expansions of the electrostatic molecular potential up to the hexadecapole terms are examined for H20, NH 3 and C2H~NH. A reasonable approximation to get unexpensive first order representations of the electrostatic potential for regions outside the van der Waals volume is found.File in questo prodotto:
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