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dc.contributor.authorLin, Chih-Kaien_US
dc.contributor.authorLi, Ming-Chungen_US
dc.contributor.authorYamaki, Masahiroen_US
dc.contributor.authorHayashi, Michitoshien_US
dc.contributor.authorLin, Sheng Hsienen_US
dc.date.accessioned2014-12-08T15:07:54Z-
dc.date.available2014-12-08T15:07:54Z-
dc.date.issued2010-01-01en_US
dc.identifier.issn1463-9076en_US
dc.identifier.urihttp://dx.doi.org/10.1039/c004493hen_US
dc.identifier.urihttp://hdl.handle.net/11536/6225-
dc.description.abstractWe have carried out a close examination on the mathematical treatments and the first-principle computations concerning the vibronic transitions between the S(0) (1)A(1) and the S(1) (1)A(2) states of formaldehyde. The simulation of absorption spectrum was presented with peak intensities calculated according to vibronic-coupled transition dipole moments and Franck-Condon factors. The radiative and non-radiative transition rate constants from the excited to the ground states were calculated with formulas based on Fermi's golden rule. It is concluded that our simulated absorption spectrum between 300 and 360 nm, as well as the estimated relaxation rate constants, showed good agreements with experimental reports.en_US
dc.language.isoen_USen_US
dc.titleA theoretical study on the spectroscopy and the radiative and non-radiative relaxation rate constants of the S(0) (1)A(1)-S(1) (1)A(2) vibronic transitions of formaldehydeen_US
dc.typeArticleen_US
dc.identifier.doi10.1039/c004493hen_US
dc.identifier.journalPHYSICAL CHEMISTRY CHEMICAL PHYSICSen_US
dc.citation.volume12en_US
dc.citation.issue37en_US
dc.citation.spage11432en_US
dc.citation.epage11444en_US
dc.contributor.department應用化學系zh_TW
dc.contributor.departmentDepartment of Applied Chemistryen_US
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