{"created":"2025-02-21T03:48:31.469584+00:00","id":2007324,"links":{},"metadata":{"_buckets":{"deposit":"5f4a8fad-50fb-4524-a685-7b9a278903f2"},"_deposit":{"created_by":41,"id":"2007324","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2007324"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02007324","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"Studies of the X-ray Absorption Spectra of Some Methylcyano Esters","subitem_title_language":"en"}]},"item_1617186419668":{"attribute_name":"Creator","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Takahashi, Osamu","creatorNameLang":"en"}],"familyNames":[{"familyName":"Takahashi","familyNameLang":"en"}],"givenNames":[{"givenName":"Osamu","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Saito, Ko","creatorNameLang":"en"}],"familyNames":[{"familyName":"Saito","familyNameLang":"en"}],"givenNames":[{"givenName":"Ko","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Mitani, Masaki","creatorNameLang":"en"}],"familyNames":[{"familyName":"Mitani","familyNameLang":"en"}],"givenNames":[{"givenName":"Masaki","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Yoshida, Hiroaki","creatorNameLang":"en"}],"familyNames":[{"familyName":"Yoshida","familyNameLang":"en"}],"givenNames":[{"givenName":"Hiroaki","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Tahara, Fumitaka","creatorNameLang":"en"}],"familyNames":[{"familyName":"Tahara","familyNameLang":"en"}],"givenNames":[{"givenName":"Fumitaka","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Sunami, Tetsuji","creatorNameLang":"en"}],"familyNames":[{"familyName":"Sunami","familyNameLang":"en"}],"givenNames":[{"givenName":"Tetsuji","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Waki, Keiichiro","creatorNameLang":"en"}],"familyNames":[{"familyName":"Waki","familyNameLang":"en"}],"givenNames":[{"givenName":"Keiichiro","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Senba, Yasunori","creatorNameLang":"en"}],"familyNames":[{"familyName":"Senba","familyNameLang":"en"}],"givenNames":[{"givenName":"Yasunori","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Hiraya, Atsunari","creatorNameLang":"en"}],"familyNames":[{"familyName":"Hiraya","familyNameLang":"en"}],"givenNames":[{"givenName":"Atsunari","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Pettersson, Lars G. M.","creatorNameLang":"en"}],"familyNames":[{"familyName":"Pettersson","familyNameLang":"en"}],"givenNames":[{"givenName":"Lars G. M.","givenNameLang":"en"}]}]},"item_1617186476635":{"attribute_name":"Access Rights","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_1617186499011":{"attribute_name":"Rights","attribute_value_mlt":[{"subitem_rights":"Copyright (c) 2004 Elsevier Ltd."}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"x-ray absorption spectra","subitem_subject_scheme":"Other"},{"subitem_subject":"density functional theory","subitem_subject_scheme":"Other"},{"subitem_subject":"methylcyano esters, core-excitation","subitem_subject_scheme":"Other"},{"subitem_subject":"site-selectivity","subitem_subject_scheme":"Other"},{"subitem_subject":"430","subitem_subject_scheme":"NDC"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"Density functional theory (DFT) has been applied to simulate core-excited photoabsorption spectra for some methylcyano esters within a transition potential (TP) framework. Our calculations for methylcyano formate at the N and O K-edges are consistent with previous experimental spectra. For methylcyano acetate the photoabsorption spectra at the N and O K-edges were reinvestigated experimentally. Contrary to the previous experiment, only one main peak was observed at the N K-edge and this peak was assigned to N(1s) →π* excitation. This result was supported by our theoretical calculations. The general trends in the x-ray absorption spectra and the site-specific bond scission of methylcyano esters at the N and O K-edges are also discussed.","subitem_description_language":"en"}]},"item_1617186643794":{"attribute_name":"Publisher","attribute_value_mlt":[{"subitem_publisher":"Elsevier"}]},"item_1617186702042":{"attribute_name":"Language","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_1617186920753":{"attribute_name":"Source Identifier","attribute_value_mlt":[{"subitem_source_identifier":"0368-2048","subitem_source_identifier_type":"ISSN"},{"subitem_source_identifier":"AA00697082","subitem_source_identifier_type":"NCID"}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"113"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2005-02","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"2","bibliographicPageEnd":"119","bibliographicPageStart":"113","bibliographicVolumeNumber":"142","bibliographic_titles":[{"bibliographic_title":"Journal of Electron Spectroscopy and Related Phenomena"},{"bibliographic_title":"Journal of Electron Spectroscopy and Related Phenomena"}]}]},"item_1617258105262":{"attribute_name":"Resource Type","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_1617265215918":{"attribute_name":"Version Type","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_b1a7d7d4d402bcce","subitem_version_type":"AO"}]},"item_1617353299429":{"attribute_name":"Relation","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1016/j.elspec.2004.10.002","subitem_relation_type_select":"DOI"}},{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1016/j.elspec.2004.10.002","subitem_relation_type_select":"DOI"}}]},"item_1617605131499":{"attribute_name":"File","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_access","date":[{"dateType":"Available","dateValue":"2023-03-18"}],"displaytype":"simple","filename":"JElectSpecRelPhen_142_113.pdf","filesize":[{"value":"144.4 KB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2007324/files/JElectSpecRelPhen_142_113.pdf"},"version_id":"c41db264-da1c-4844-b7c9-169dab1939da"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"17090"},"item_title":"Studies of the X-ray Absorption Spectra of Some Methylcyano Esters","item_type_id":"40003","owner":"41","path":["1730444907710"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2023-03-18"},"publish_date":"2023-03-18","publish_status":"0","recid":"2007324","relation_version_is_last":true,"title":["Studies of the X-ray Absorption Spectra of Some Methylcyano Esters"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T09:43:41.433494+00:00"}