Matches in SemOpenAlex for { <https://semopenalex.org/work/W2071805637> ?p ?o ?g. }
Showing items 1 to 96 of
96
with 100 items per page.
- W2071805637 endingPage "11" @default.
- W2071805637 startingPage "8" @default.
- W2071805637 abstract "► Vibronic interactions between the X and B electronic states has been theoretically investigated. ► KDC model has been employed. ► Coupling constants have been calculated within the adiabatic quadratic approach. ► The inclusion of the vibronic couplings makes crucial changes in the potential surfaces. ► The calculated asymmetric ν 5 and ν 6 fundamental energies agree with the experiment. A theoretical investigation of the vibronic interactions between the X 2 B 2 and B 2 A 1 states has been performed in order to explain the unusually low ν 5 and ν 6 vibrational energies of the fluoroformyloxyl radical (FCO 2 ). The coupling constants have been determined within the adiabatic quadratic approach (AP2) in the general framework of the model of Köppel, Domcke and Cederbaum. All Hamiltonian matrix elements have been parameterized with ab initio calculations carried out using either the EOMIP-CCSD or UHF-CCSD(T) method. The calculated ν 5 and ν 6 fundamental energies agree very well with the experimental value." @default.
- W2071805637 created "2016-06-24" @default.
- W2071805637 creator A5003961779 @default.
- W2071805637 creator A5009509741 @default.
- W2071805637 date "2013-04-01" @default.
- W2071805637 modified "2023-10-16" @default.
- W2071805637 title "Theoretical study of vibronic coupling in the FCO2 radical" @default.
- W2071805637 cites W1571658817 @default.
- W2071805637 cites W1965310976 @default.
- W2071805637 cites W1973300815 @default.
- W2071805637 cites W1980810311 @default.
- W2071805637 cites W1984884604 @default.
- W2071805637 cites W1993593137 @default.
- W2071805637 cites W1995047827 @default.
- W2071805637 cites W1995269676 @default.
- W2071805637 cites W1995470202 @default.
- W2071805637 cites W1996525741 @default.
- W2071805637 cites W2022645690 @default.
- W2071805637 cites W2027903372 @default.
- W2071805637 cites W2029319122 @default.
- W2071805637 cites W2038257719 @default.
- W2071805637 cites W2042423937 @default.
- W2071805637 cites W2051575127 @default.
- W2071805637 cites W2056649032 @default.
- W2071805637 cites W2059648469 @default.
- W2071805637 cites W2062913212 @default.
- W2071805637 cites W2084389284 @default.
- W2071805637 cites W2084641454 @default.
- W2071805637 cites W2088373128 @default.
- W2071805637 cites W2136046961 @default.
- W2071805637 cites W2320173927 @default.
- W2071805637 doi "https://doi.org/10.1016/j.cplett.2013.02.058" @default.
- W2071805637 hasPublicationYear "2013" @default.
- W2071805637 type Work @default.
- W2071805637 sameAs 2071805637 @default.
- W2071805637 citedByCount "3" @default.
- W2071805637 countsByYear W20718056372013 @default.
- W2071805637 countsByYear W20718056372014 @default.
- W2071805637 countsByYear W20718056372022 @default.
- W2071805637 crossrefType "journal-article" @default.
- W2071805637 hasAuthorship W2071805637A5003961779 @default.
- W2071805637 hasAuthorship W2071805637A5009509741 @default.
- W2071805637 hasConcept C109663097 @default.
- W2071805637 hasConcept C121332964 @default.
- W2071805637 hasConcept C126255220 @default.
- W2071805637 hasConcept C129844170 @default.
- W2071805637 hasConcept C130787639 @default.
- W2071805637 hasConcept C147597530 @default.
- W2071805637 hasConcept C160172526 @default.
- W2071805637 hasConcept C181500209 @default.
- W2071805637 hasConcept C182498248 @default.
- W2071805637 hasConcept C183971685 @default.
- W2071805637 hasConcept C184779094 @default.
- W2071805637 hasConcept C185592680 @default.
- W2071805637 hasConcept C2524010 @default.
- W2071805637 hasConcept C2781442258 @default.
- W2071805637 hasConcept C32909587 @default.
- W2071805637 hasConcept C33923547 @default.
- W2071805637 hasConcept C62520636 @default.
- W2071805637 hasConceptScore W2071805637C109663097 @default.
- W2071805637 hasConceptScore W2071805637C121332964 @default.
- W2071805637 hasConceptScore W2071805637C126255220 @default.
- W2071805637 hasConceptScore W2071805637C129844170 @default.
- W2071805637 hasConceptScore W2071805637C130787639 @default.
- W2071805637 hasConceptScore W2071805637C147597530 @default.
- W2071805637 hasConceptScore W2071805637C160172526 @default.
- W2071805637 hasConceptScore W2071805637C181500209 @default.
- W2071805637 hasConceptScore W2071805637C182498248 @default.
- W2071805637 hasConceptScore W2071805637C183971685 @default.
- W2071805637 hasConceptScore W2071805637C184779094 @default.
- W2071805637 hasConceptScore W2071805637C185592680 @default.
- W2071805637 hasConceptScore W2071805637C2524010 @default.
- W2071805637 hasConceptScore W2071805637C2781442258 @default.
- W2071805637 hasConceptScore W2071805637C32909587 @default.
- W2071805637 hasConceptScore W2071805637C33923547 @default.
- W2071805637 hasConceptScore W2071805637C62520636 @default.
- W2071805637 hasLocation W20718056371 @default.
- W2071805637 hasOpenAccess W2071805637 @default.
- W2071805637 hasPrimaryLocation W20718056371 @default.
- W2071805637 hasRelatedWork W12710217 @default.
- W2071805637 hasRelatedWork W2013715109 @default.
- W2071805637 hasRelatedWork W2026658277 @default.
- W2071805637 hasRelatedWork W2035466072 @default.
- W2071805637 hasRelatedWork W2045200835 @default.
- W2071805637 hasRelatedWork W2048616894 @default.
- W2071805637 hasRelatedWork W2063677252 @default.
- W2071805637 hasRelatedWork W2067281572 @default.
- W2071805637 hasRelatedWork W2166732066 @default.
- W2071805637 hasRelatedWork W2518932921 @default.
- W2071805637 hasVolume "566" @default.
- W2071805637 isParatext "false" @default.
- W2071805637 isRetracted "false" @default.
- W2071805637 magId "2071805637" @default.
- W2071805637 workType "article" @default.