Matches in SemOpenAlex for { <https://semopenalex.org/work/W3137318615> ?p ?o ?g. }
- W3137318615 endingPage "2931" @default.
- W3137318615 startingPage "2920" @default.
- W3137318615 abstract "The photoinduced excited-state dynamics of the keto and enol forms of cytosine is investigated using ab initio surface hopping in order to understand the outcome of molecular beam femtosecond pump-probe photoionization spectroscopy experiments. Both singlet and triplet states are included in the dynamics. The results show that triplet states play a significant role in the relaxation of the keto tautomer, while they are less important in the enol tautomer. In both forms, the T$_1$ state minimum is found too low in energy to be detected in standard photoionization spectroscopy experiments and therefore experimental decay times should arise from a simultaneous relaxation to the ground state and additional intersystem crossing followed by internal conversion to the T$_1$ state. In agreement with available experimental lifetimes, we observe three decay constants of 7 fs, 270 fs and 1900 fs - the first two coming from the keto tautomer and the longer one from the enol tautomer. Deactivation of the enol form is due to internal conversion to the ground state via two S$_1$/S$_0$ conical intersections of ethylenic type." @default.
- W3137318615 created "2021-03-29" @default.
- W3137318615 creator A5008682258 @default.
- W3137318615 creator A5014276043 @default.
- W3137318615 creator A5032338232 @default.
- W3137318615 creator A5056067251 @default.
- W3137318615 creator A5069215951 @default.
- W3137318615 date "2013-07-25" @default.
- W3137318615 modified "2023-10-06" @default.
- W3137318615 title "Singlet and Triplet Excited‐State Dynamics Study of the Keto and Enol Tautomers of Cytosine" @default.
- W3137318615 cites W1964097191 @default.
- W3137318615 cites W1970445503 @default.
- W3137318615 cites W1970840181 @default.
- W3137318615 cites W1971275758 @default.
- W3137318615 cites W1983667236 @default.
- W3137318615 cites W1987245427 @default.
- W3137318615 cites W1990814642 @default.
- W3137318615 cites W1994488631 @default.
- W3137318615 cites W1997366126 @default.
- W3137318615 cites W1999531146 @default.
- W3137318615 cites W2001305734 @default.
- W3137318615 cites W2003320348 @default.
- W3137318615 cites W2015313222 @default.
- W3137318615 cites W2022405109 @default.
- W3137318615 cites W2025216223 @default.
- W3137318615 cites W2025943134 @default.
- W3137318615 cites W2032436962 @default.
- W3137318615 cites W2032677352 @default.
- W3137318615 cites W2037365376 @default.
- W3137318615 cites W2038922877 @default.
- W3137318615 cites W2040654649 @default.
- W3137318615 cites W2048570069 @default.
- W3137318615 cites W2053242843 @default.
- W3137318615 cites W2053967659 @default.
- W3137318615 cites W2055742292 @default.
- W3137318615 cites W2056184581 @default.
- W3137318615 cites W2061773780 @default.
- W3137318615 cites W2064526317 @default.
- W3137318615 cites W2067788293 @default.
- W3137318615 cites W2068920655 @default.
- W3137318615 cites W2071929758 @default.
- W3137318615 cites W2076188882 @default.
- W3137318615 cites W2080194069 @default.
- W3137318615 cites W2081604033 @default.
- W3137318615 cites W2083011782 @default.
- W3137318615 cites W2085743622 @default.
- W3137318615 cites W2085769008 @default.
- W3137318615 cites W2085798463 @default.
- W3137318615 cites W2088771641 @default.
- W3137318615 cites W2091720423 @default.
- W3137318615 cites W2092516834 @default.
- W3137318615 cites W2112145363 @default.
- W3137318615 cites W2112412854 @default.
- W3137318615 cites W2121572200 @default.
- W3137318615 cites W2126767492 @default.
- W3137318615 cites W2135158270 @default.
- W3137318615 cites W2141506516 @default.
- W3137318615 cites W2142666840 @default.
- W3137318615 cites W2316626263 @default.
- W3137318615 cites W2317429152 @default.
- W3137318615 cites W2317574919 @default.
- W3137318615 cites W2318513578 @default.
- W3137318615 cites W2327027310 @default.
- W3137318615 cites W2332668224 @default.
- W3137318615 cites W3004477235 @default.
- W3137318615 doi "https://doi.org/10.1002/cphc.201300370" @default.
- W3137318615 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23893944" @default.
- W3137318615 hasPublicationYear "2013" @default.
- W3137318615 type Work @default.
- W3137318615 sameAs 3137318615 @default.
- W3137318615 citedByCount "85" @default.
- W3137318615 countsByYear W31373186152013 @default.
- W3137318615 countsByYear W31373186152014 @default.
- W3137318615 countsByYear W31373186152015 @default.
- W3137318615 countsByYear W31373186152016 @default.
- W3137318615 countsByYear W31373186152017 @default.
- W3137318615 countsByYear W31373186152018 @default.
- W3137318615 countsByYear W31373186152019 @default.
- W3137318615 countsByYear W31373186152020 @default.
- W3137318615 countsByYear W31373186152021 @default.
- W3137318615 countsByYear W31373186152022 @default.
- W3137318615 countsByYear W31373186152023 @default.
- W3137318615 crossrefType "journal-article" @default.
- W3137318615 hasAuthorship W3137318615A5008682258 @default.
- W3137318615 hasAuthorship W3137318615A5014276043 @default.
- W3137318615 hasAuthorship W3137318615A5032338232 @default.
- W3137318615 hasAuthorship W3137318615A5056067251 @default.
- W3137318615 hasAuthorship W3137318615A5069215951 @default.
- W3137318615 hasBestOaLocation W31373186152 @default.
- W3137318615 hasConcept C111233374 @default.
- W3137318615 hasConcept C116039458 @default.
- W3137318615 hasConcept C121332964 @default.
- W3137318615 hasConcept C145148216 @default.
- W3137318615 hasConcept C15744967 @default.
- W3137318615 hasConcept C158749347 @default.
- W3137318615 hasConcept C161522054 @default.
- W3137318615 hasConcept C161790260 @default.
- W3137318615 hasConcept C178790620 @default.