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The role of chlorine position in the electronic circular dichroism of chlorophenyl-ethanol investigated by vibronic calculations
Authors:Daniel Aranda  Fabrizio Santoro
Institution:Consiglio Nazionale delle Ricerche-Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), Pisa, Italy
Abstract:
Keywords:assignment of the main vibronic progressions  effect of soft modes  Franck–Condon and Herzberg–Teller mechanisms  Lb benzene transition  specific solute–solvent interactions  vertical harmonic models with Duschinsky mixings
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