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Benchmarking TD-DFT against Vibrationally Resolved Absorption Spectra at Room Temperature: 7-Aminocoumarins as Test Cases
Muniz-Miranda, Francesco, Pedone, Alfonso, Battistelli, Giulia, Montalti, Marco, Bloino, Julien, Barone, VincenzoLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b00750
Date:
October, 2015
File:
PDF, 5.71 MB
english, 2015