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Calculation of dispersion energy shifts in molecular electronic spectra using sum rules

โœ Scribed by Osvaldo Goscinski


Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
126 KB
Volume
81
Category
Article
ISSN
0020-7608

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A new microscopic model for the quantitative interpretation of solvent effects on molecular eiectrooic spectxa is proposed. The interaction ener& is caicuIated between the solute molecule and a camplet. shell of surrounding solvent nolecutes. The equilibrium configuration is obtained by a procedur