Geometry optimization of molecular structures in solution by the polarizable continuum model

Author:

Barone Vincenzo,Cossi Maurizio,Tomasi Jacopo

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference89 articles.

1. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent

2. and Liquid state quantum chemistry, in: Computational Chemistry: Review of Current Trends, ed. World Scientific, Singapore 195.

3. and in: Reviews in Computational Chemistry, and eds., VCH Publishers, New York 1995, Vol. 6, p. 1.

4. Density Functional Study of Intrinsic and Environmental Effects in the Tautomeric Equilibrium of 2-Pyridone

5. Model for Aqueous Solvation Based on Class IV Atomic Charges and First Solvation Shell Effects

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