Initial excited‐state relaxation of locked retinal protonated schiff base chromophore. An insight from coupled cluster and multireference perturbation theory calculations
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DOI: 10.1002/jcc.25346
Abstract: The initial S1 excited‐state relaxation of retinal protonated Schiff base (RPSB) analog with central C11C12 double bond locked by eight‐membered ring (locked‐11.8) was investigated by means of multireference perturbation theory methods (XMCQDPT2, XMS‐CASPT2, MS‐CASPT2) as… read more here.
Keywords: state; excited state; relaxation; perturbation theory ... See more keywords
Electronically Excited Solute Described by RISM Approach Coupled with Multireference Perturbation Theory: Vertical Excitation Energies of Bioimaging Probes.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00599
Abstract: For theoretically studying molecules with fluorescence in the near-infrared region, high-accuracy determination of state energy level is required for meaningful analyses since the spectra of interest are of very narrow energy range. In particular, these… read more here.
Keywords: rism; perturbation theory; multireference perturbation; theory ... See more keywords