Article ID Journal Published Year Pages File Type
5382574 Chemical Physics Letters 2013 5 Pages PDF
Abstract
► First quantum chemical results for the low-energy states of 1,8-naphtalimide at the CC level. ► First theoretical interpretation of the MCD spectrum of 1,8-naphtalimide. ► Highlighting the importance of vibronic coupling in interpreting the MCD spectra.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The magnetic circular dichroism (MCD) and absorption studies of 1,8-naphthalimide. The theoretical analysis in terms of density functional (DF) and coupled cluster (CC) theories
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