| Literature DB >> 15268426 |
Robert W Gora1, Wojciech Bartkowiak, Szczepan Roszak, Jerzy Leszczynski.
Abstract
A new approach for the analysis of intermolecular interactions in a solution is proposed. The changes in the interaction energy components due to the solvent effects are estimated on the basis of the interaction energy calculated in the presence of the electric field induced in a polarizable medium, or in the field of the effective fragment potentials. Obtained results indicate a significant increase in stabilization resulting from electrostatic interactions as a result of the cooperative interactions between interacting subsystems and solvent molecules.Year: 2004 PMID: 15268426 DOI: 10.1063/1.1636155
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488