{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1360004236242016128.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1143/jpsjs.81sa.sa024"}},{"identifier":{"@type":"URI","@value":"http://journals.jps.jp/doi/pdf/10.1143/JPSJS.81SA.SA024"}}],"resourceType":"学術雑誌論文(journal article)","dc:title":[{"@value":"Solvent Effect on the Fluorescence Spectra of Coumarin 120 in Water: A Combined Quantum Mechanical and Molecular Mechanical Study"}],"description":[{"notation":[{"@value":"The solvent effect on the steady-state and time-resolved fluorescence spectra of coumarin 120 in water was studied utilizing a molecular dynamics simulation with combined quantum mechanical/molecular mechanical method. The constructed steady-state fluorescence spectra reproduced the Stokes shift of the experimental data. The solvent effects on the spectra were examined by constructing three different spectra: spectra using the entire system, spectra including water molecules only in the first solvent shell, and spectra excluding all water molecules. We found that the variation in C–C bond length makes the largest contribution to the solvent shift in the fluorescence spectrum, which indicates the importance of the electronic structure variation."}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1380004236242016130","@type":"Researcher","foaf:name":[{"@value":"Tetsuya Sakata"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380004236242016128","@type":"Researcher","foaf:name":[{"@value":"Katsura Nishiyama"}],"jpcoar:affiliationName":[{"@value":"Faculty of Education, Shimane University, Matsue 690-8504, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380004236242016132","@type":"Researcher","foaf:name":[{"@value":"Haruyuki Nakano"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, 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Yamamoto"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"00319015"},{"@type":"EISSN","@value":"13474073"}],"prism:publicationName":[{"@value":"Journal of the Physical Society of Japan"}],"dc:publisher":[{"@value":"Physical Society of Japan"}],"prism:publicationDate":"2012-01-02","prism:volume":"81","prism:number":"Suppl.A","prism:startingPage":"SA024"},"reviewed":"false","url":[{"@id":"http://journals.jps.jp/doi/pdf/10.1143/JPSJS.81SA.SA024"}],"createdAt":"2012-10-23","modifiedAt":"2017-06-21","foaf:topic":[{"@id":"https://cir.nii.ac.jp/all?q=General%20Physics%20and%20Astronomy","dc:title":"General Physics and Astronomy"}],"project":[{"@id":"https://cir.nii.ac.jp/crid/1040000782080382336","@type":"Project","projectIdentifier":[{"@type":"KAKEN","@value":"21540419"},{"@type":"JGN","@value":"JP21540419"},{"@type":"URI","@value":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-21540419/"}],"notation":[{"@language":"ja","@value":"大きな疎水性物質の拡散"},{"@language":"en","@value":"Diffusion of a large particle"}]},{"@id":"https://cir.nii.ac.jp/crid/1040000782161639040","@type":"Project","projectIdentifier":[{"@type":"KAKEN","@value":"23550018"},{"@type":"JGN","@value":"JP23550018"},{"@type":"URI","@value":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23550018/"}],"notation":[{"@language":"ja","@value":"溶液内擬縮退系のための多配置電子状態理論とシミュレーション手法の開発"},{"@language":"en","@value":"Development of multiconfigurational electronic structure theory and simulation method for quasidegenerate systems in 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