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Treatment of electrostatic effects within the molecular mechanics Method. 2
(American Chemical Society, 1983)
The previously developed general method, which includes induction by dipoles in polarizable bonds and the solvation of molecular dipoles and quadrupoles, was used to calculate molecular dipole moments and to predict ...
Treatment of electrostatic effects within the molecular mechanics method. 1
(American Chemical Society (ACS), 1983)
A model of intramolecular electrostatic effects (called the induced dipole moment and energy (IDME) method) was derived by extending the method originally proposed by Del Re for calculating dipole moments and charge ...