Lennard induction

Here, is the free energy of cavity formation (obtained using a theory for hard oblate spheroids), and are the Lennard-Jones and Coulomb interaction energies, respectively, between the chosen molecnle and the others in the fluid, and the subscripts a and w refer to amorphous and water phases, respectively. The SR theory assumes that the response of the system to electrostatic interactions can be described by linear response theory and that the response to dispersion or other induction and correlation interactions can be described by mean field theory [38 1]. 

Where Polar forces act across an interface as well as dispersion forces, the Lennard-Jones potential still applies and Eqns. 3-6 are still valid. A similar approach to the calculation of (/> is possible, but the attraction constant terms have to be summed covering the orientation and induction forces involved. 

Intermolecular intertictions are a superposition of the forces of dipole, inductive, and disperse interactions. Such a composition is often approximated with the Lennard-Johns (12,6) potential... 

The forces of intermolecular interactions are the superposition of the dipole, induction, and disperse interaction forces. They can be expressed as a united function of interactions, such as the sum of two power functions Equation 1.7-39 (the Lennard-Johns potential), the potential pit, etc. 

The form of interaction functiorrs such as those of Lennard-Jones, based on the model of Van der Waals forces irrvolving Keesom orientation effects, Debye induction and Lorrdon dispersion, which quickly decrease with distance beyorrd a certain distance between two molecules, the interaction can be negligible (for example, when the interaction is less than 5q/100)-This comes down to defming around each molecule a volume influence ... 

In all the embedding schemes presented so far the effects that the classical part of the system exerts on the QM part are of electrostatic (and induction) nature. Additional nonelectrostatic (van der Waals) terms are generally described by empirical potentials independent of the QM electronic degrees of freedom, thus not affecting the QM wavefunction. As in standard MM methods, the van der Waals interaction is typically described by a Lennard-Jones (LI) potential, namely... 

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