Prediction of solvent effects on vibrational absorption intensities and Raman activities in solution within the polarizable continuum model: A study on push-pull molecules
Articolo
Data di Pubblicazione:
2003
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
DENSITY-FUNCTIONAL THEORY; BOND-LENGTH ALTERNATION; DONOR-ACCEPTOR POLYENES; INFRA-RED SPECTROSCOPY; ELECTRONIC-STRUCTURE; CONFIGURATION-INTERACTION; NUMERICAL APPLICATIONS; IONIC-SOLUTIONS; HARTREE-FOCK; SPECTRA
Elenco autori:
Corni, Stefano
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