Insights on the crossing of the two lowest n-π∗ and π-π∗ absorption lines of thieno[3,4-b]pyrazine in an aqueous environment
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DOI: 10.1016/j.cplett.2021.138366
Abstract: Abstract Different degrees of quantum mechanics and solvation based on a polarizable continuum model and a sequential-QM/MM methodology is applied to investigate the two lowest singlet excited states in the UV–vis spectra of thieno[3,4-b]pyrazine (TPy).… read more here.
Keywords: lowest absorption; insights crossing; absorption lines; crossing two ... See more keywords