Applications of the basic polarizable continuum model. A study of the vibrational properties of diatomic solutes
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference58 articles.
1. A simple model for molecular vibrations in solution: Application to hydrogen fluoride and its dimer in polar and non-polar solvents
2. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
3. Ab initio calculation of the force field of the hydrogen fluoride dimer
4. A note on the AB initio calculation of intermolecular potentials: the HF dimer
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1. On Two Recent Developments in the Description of Molecular Properties in Solution by Using the Polarizable Continuum Model (PCM): The Coupled-Cluster Theory and the Molecules at Extreme Pressures;Practical Aspects of Computational Chemistry II;2012
2. Time-Independent Approach to Vibrational Spectroscopies;Computational Strategies for Spectroscopy;2011-10-28
3. Selected features of the polarizable continuum model for the representation of solvation;WIREs Computational Molecular Science;2011-06-03
4. On the Calculation of Vibrational Frequencies for Molecules in Solution Beyond the Harmonic Approximation;Journal of Chemical Theory and Computation;2010-04-01
5. Learning from the past: a personal view on the perspectives of quantum computational chemistry;Theoretical Chemistry Accounts;2009-04-30
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