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Structural and electronic influence of aluminum trichloride on a benzonaphthopyranone

✍ Scribed by G. Bringmann; U. Dauer; M. Lankers; J. Popp; U. Posset; W. Kiefer

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
287 KB
Volume
349
Category
Article
ISSN
0022-2860

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Influence of dispersion forces on the el
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✍ Daniel Rinaldi; Benedito J. Costa Cabral; Jean-Louis Rivail πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 405 KB

## Equations giving the dispersion contribution to the free energy of salvation of a molecule in a dielectric continuum are used to establish the SCF equations of the solvated molecule. The electronic structure obtained by mmimizing the overall energy (molecular+ solvation) differs slightly from t