Matches in SemOpenAlex for { <https://semopenalex.org/work/W2971332270> ?p ?o ?g. }
- W2971332270 endingPage "112067" @default.
- W2971332270 startingPage "112067" @default.
- W2971332270 abstract "The nonradiative deactivation mechanisms of the lowest 1ππ excited states in four protonated isomers of the 7H- and 9H-xanthine, based on the MP2, CC2, ADC(2) and CASSCF theoretical methods have been investigated. It has been predicted that out-of-plane driving coordinates are effectively responsible for photostability of these systems at the Franck-Condon region of the 1ππ* excited state, while the NH or OH stretching coordinates can be suggested to play the deactivation role in the higher energetic range based on the 1πσ* state. The different deactivation mechanisms provide significant supports for photostability of protonated xanthine in the wide range of UV radiation as well as its neutral homologue. Also, from spectroscopy points of view, no significant alteration in the 1ππ*-S0 electronic transition has been predicted to occur following protonation." @default.
- W2971332270 created "2019-09-05" @default.
- W2971332270 creator A5058545549 @default.
- W2971332270 creator A5081606708 @default.
- W2971332270 creator A5087185525 @default.
- W2971332270 date "2019-12-01" @default.
- W2971332270 modified "2023-09-26" @default.
- W2971332270 title "Theoretical insights on nonradiative deactivation mechanisms of protonated xanthine" @default.
- W2971332270 cites W1534726296 @default.
- W2971332270 cites W1716572890 @default.
- W2971332270 cites W1964097191 @default.
- W2971332270 cites W1966349688 @default.
- W2971332270 cites W1976140306 @default.
- W2971332270 cites W1976378749 @default.
- W2971332270 cites W1977560548 @default.
- W2971332270 cites W1978074278 @default.
- W2971332270 cites W1980520349 @default.
- W2971332270 cites W1984441906 @default.
- W2971332270 cites W1986840883 @default.
- W2971332270 cites W1987245427 @default.
- W2971332270 cites W1993395914 @default.
- W2971332270 cites W2005935512 @default.
- W2971332270 cites W2006988913 @default.
- W2971332270 cites W2007298995 @default.
- W2971332270 cites W2007584800 @default.
- W2971332270 cites W2011132211 @default.
- W2971332270 cites W2014452229 @default.
- W2971332270 cites W2022405109 @default.
- W2971332270 cites W2024351433 @default.
- W2971332270 cites W2027003366 @default.
- W2971332270 cites W2033262860 @default.
- W2971332270 cites W2035942888 @default.
- W2971332270 cites W2038854608 @default.
- W2971332270 cites W2039574885 @default.
- W2971332270 cites W2040207297 @default.
- W2971332270 cites W2043074780 @default.
- W2971332270 cites W2045508665 @default.
- W2971332270 cites W2048990616 @default.
- W2971332270 cites W2050511987 @default.
- W2971332270 cites W2053242843 @default.
- W2971332270 cites W2066889162 @default.
- W2971332270 cites W2067934335 @default.
- W2971332270 cites W2068920852 @default.
- W2971332270 cites W2069006374 @default.
- W2971332270 cites W2073807976 @default.
- W2971332270 cites W2074944594 @default.
- W2971332270 cites W2082037815 @default.
- W2971332270 cites W2082691688 @default.
- W2971332270 cites W2085798463 @default.
- W2971332270 cites W2088282970 @default.
- W2971332270 cites W2090434591 @default.
- W2971332270 cites W2095370936 @default.
- W2971332270 cites W2096019870 @default.
- W2971332270 cites W2103084330 @default.
- W2971332270 cites W2103091623 @default.
- W2971332270 cites W2111746384 @default.
- W2971332270 cites W2117488387 @default.
- W2971332270 cites W2132130375 @default.
- W2971332270 cites W2133853398 @default.
- W2971332270 cites W2139901322 @default.
- W2971332270 cites W2145184543 @default.
- W2971332270 cites W2146234190 @default.
- W2971332270 cites W2148969115 @default.
- W2971332270 cites W2149912955 @default.
- W2971332270 cites W2153850780 @default.
- W2971332270 cites W2233106825 @default.
- W2971332270 cites W2314074944 @default.
- W2971332270 cites W2314675337 @default.
- W2971332270 cites W2325826781 @default.
- W2971332270 cites W2334779785 @default.
- W2971332270 cites W2340316855 @default.
- W2971332270 cites W2409244550 @default.
- W2971332270 cites W2898216547 @default.
- W2971332270 doi "https://doi.org/10.1016/j.jphotochem.2019.112067" @default.
- W2971332270 hasPublicationYear "2019" @default.
- W2971332270 type Work @default.
- W2971332270 sameAs 2971332270 @default.
- W2971332270 citedByCount "7" @default.
- W2971332270 countsByYear W29713322702020 @default.
- W2971332270 countsByYear W29713322702021 @default.
- W2971332270 countsByYear W29713322702022 @default.
- W2971332270 countsByYear W29713322702023 @default.
- W2971332270 crossrefType "journal-article" @default.
- W2971332270 hasAuthorship W2971332270A5058545549 @default.
- W2971332270 hasAuthorship W2971332270A5081606708 @default.
- W2971332270 hasAuthorship W2971332270A5087185525 @default.
- W2971332270 hasConcept C121332964 @default.
- W2971332270 hasConcept C145148216 @default.
- W2971332270 hasConcept C147597530 @default.
- W2971332270 hasConcept C159985019 @default.
- W2971332270 hasConcept C178790620 @default.
- W2971332270 hasConcept C181199279 @default.
- W2971332270 hasConcept C181500209 @default.
- W2971332270 hasConcept C184779094 @default.
- W2971332270 hasConcept C185592680 @default.
- W2971332270 hasConcept C192562407 @default.
- W2971332270 hasConcept C204323151 @default.
- W2971332270 hasConcept C2779470414 @default.