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Published in 2017 at "Molecular Physics"
DOI: 10.1080/00268976.2017.1317113
Abstract: ABSTRACT Taking into account the space inhomogeneity of the light electromagnetic wave, a new quantum mechanical expression for the natural optical activity (NOA) of electron transitions has been obtained, which is consistent with the phenomenological…
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Keywords:
giant circular;
circular dichroism;
dichroism vibronic;
origin giant ... See more keywords
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1
Published in 2022 at "Molecules"
DOI: 10.3390/molecules27238135
Abstract: In this paper, we introduce specific approximations to simplify the vibronic treatment in modeling absorption and emission spectra, allowing us to include a huge number of vibronic transitions in the calculations. Implementation of such a…
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Keywords:
vibronic treatment;
treatment efficiently;
vibronic transitions;
simplified treatment ... See more keywords