The vibronic structures of absorption and magnetic circular dichroism (MCD) in the low energy 11B2u and 11B3u states of 1,4,5,8-naphthalenetetracarboxy dianhydride. The analysis in terms of DFT and CASSCF methods
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
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1. Going beyond the vertical approximation with time-dependent density functional theory;Wiley Interdisciplinary Reviews: Computational Molecular Science;2016-04-22
2. Time-Resolved Study of 1,8-Naphthalic Anhydride and 1,4,5,8-Naphthalene-tetracarboxylic Dianhydride;The Journal of Physical Chemistry A;2015-02-23
3. The resonance and pre-resonance Raman scattering in the low energy 11B2uand 11B3ustates of 1,4,5,8-naphthalenetetracarboxy dianhydride in terms of DFT methods. The aggregation of NTCDA molecules in the ethanol and methanol solutions;Journal of Raman Spectroscopy;2013-08-23
4. First Principles Studies of the Vibrationally Resolved Magnetic Circular Dichroism Spectra of Biphenylene;Journal of Chemical Theory and Computation;2013-02-15
5. 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;Chemical Physics Letters;2013-01
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