{"created":"2025-02-21T03:47:04.766645+00:00","id":2007276,"links":{},"metadata":{"_buckets":{"deposit":"81abb920-d902-4c36-8ecd-c8f5f48b9001"},"_deposit":{"created_by":41,"id":"2007276","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2007276"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02007276","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"Theoretical study of ion desorption from poly-(methyl methacrylate) and poly-(isopropenyl acetate) thin films through core excitation","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":"Tabayashi, Kiyohiko","creatorNameLang":"en"}],"familyNames":[{"familyName":"Tabayashi","familyNameLang":"en"}],"givenNames":[{"givenName":"Kiyohiko","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Wada, Shin-ichi","creatorNameLang":"en"}],"familyNames":[{"familyName":"Wada","familyNameLang":"en"}],"givenNames":[{"givenName":"Shin-ichi","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Sumii, Ryouhei","creatorNameLang":"en"}],"familyNames":[{"familyName":"Sumii","familyNameLang":"en"}],"givenNames":[{"givenName":"Ryouhei","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Tanaka, Kenichiro","creatorNameLang":"en"}],"familyNames":[{"familyName":"Tanaka","familyNameLang":"en"}],"givenNames":[{"givenName":"Kenichiro","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Odelius, Michael","creatorNameLang":"en"}],"familyNames":[{"familyName":"Odelius","familyNameLang":"en"}],"givenNames":[{"givenName":"Michael","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) 2006 American Institute of Physics."}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"polymer films","subitem_subject_scheme":"Other"},{"subitem_subject":"desorption","subitem_subject_scheme":"Other"},{"subitem_subject":"surface chemistry","subitem_subject_scheme":"Other"},{"subitem_subject":"X-ray absorption spectra","subitem_subject_scheme":"Other"},{"subitem_subject":"density functional theory","subitem_subject_scheme":"Other"},{"subitem_subject":"excited states","subitem_subject_scheme":"Other"},{"subitem_subject":"molecular dynamics method","subitem_subject_scheme":"Other"},{"subitem_subject":"dissociation","subitem_subject_scheme":"Other"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"Site-specific chemical reactions following core excitation of poly-(methyl methacrylate) (PMMA) and poly-(isopropenyl acetate) (PiPAc) thin films were investigated. New x-ray absorption spectra of PMMAand PiPAc at the C and O K edges and theoretical spectra within the framework of density functional theory using model molecules were reported, and some new peak assignments were proposed for these spectra. Core-hole excited state molecular dynamics simulations were performed to discuss dissociation dynamics for the target systems, and some specific reaction mechanisms were discussed and explained theoretically; for example, the amount of CH3 ion fragments for PMMA was enhanced at the C and O K edges through the existence of the repulsive σ*(O–CH3) excited state.","subitem_description_language":"en"}]},"item_1617186643794":{"attribute_name":"Publisher","attribute_value_mlt":[{"subitem_publisher":"American Institute of Physics"}]},"item_1617186702042":{"attribute_name":"Language","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_1617186920753":{"attribute_name":"Source Identifier","attribute_value_mlt":[{"subitem_source_identifier":"0021-9606","subitem_source_identifier_type":"ISSN"},{"subitem_source_identifier":"AA00694991","subitem_source_identifier_type":"NCID"}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"124901-1"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2006-03-22","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"12","bibliographicPageEnd":"124901-8","bibliographicPageStart":"124901-1","bibliographicVolumeNumber":"124","bibliographic_titles":[{"bibliographic_title":"Journal of Chemical Physics"},{"bibliographic_title":"Journal of Chemical Physics"}]}]},"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_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_1617353299429":{"attribute_name":"Relation","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1063/1.2176605","subitem_relation_type_select":"DOI"}},{"subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1063/1.2176605","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":"JChemPhys_124_124901.pdf","filesize":[{"value":"148.3 KB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2007276/files/JChemPhys_124_124901.pdf"},"version_id":"10b66528-1e39-4ba1-8c0b-2a3cfabfacbb"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"18824"},"item_title":"Theoretical study of ion desorption from poly-(methyl methacrylate) and poly-(isopropenyl acetate) thin films through core excitation","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":"2007276","relation_version_is_last":true,"title":["Theoretical study of ion desorption from poly-(methyl methacrylate) and poly-(isopropenyl acetate) thin films through core excitation"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T09:36:27.249359+00:00"}