Predicting Excitation Energies of Twisted Intramolecular Charge-Transfer States with the Time-Dependent Density Functional Theory: Comparison with Experimental Measurements in the Gas Phase and Solvents Ranging from Hexanes to Acetonitrile

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Title
Predicting Excitation Energies of Twisted Intramolecular Charge-Transfer States with the Time-Dependent Density Functional Theory: Comparison with Experimental Measurements in the Gas Phase and Solvents Ranging from Hexanes to Acetonitrile
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 16, Issue 10, Pages 6244-6255
Publisher
American Chemical Society (ACS)
Online
2020-08-21
DOI
10.1021/acs.jctc.0c00635

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