The potential of a molecular surface in intermolecular interactions
A. S. Lekomtsev, И. В. Чернышев
Abstract
A. S. Lekomtsev, И. В. Чернышев
Abstract
A calculation procedure for the potential of the smoothed surface of a solute molecule at the interaction with a solvent is proposed.
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A calculation procedure for the potential of the smoothed surface of a solute molecule at the interaction with a solvent is proposed.
Key concepts: Chemistry, Intermolecular force, Surface (topology), Molecule, Computational chemistry, Intermolecular interaction, Solvent, Chemical physics