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Published in 2022 at "Molecules"
DOI: 10.3390/molecules27134062
Abstract: Accurate modeling of optical spectra requires careful treatment of the molecular structures and vibronic, environmental, and thermal contributions. The accuracy of the computational methods used to simulate absorption spectra is limited by their ability to…
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Keywords:
franck condon;
cy3;
condon approach;
absorption spectra ... See more keywords