{"created":"2025-02-21T03:26:04.442582+00:00","id":2006594,"links":{},"metadata":{"_buckets":{"deposit":"ae1d0186-1229-4d6d-825c-e86ec56d4350"},"_deposit":{"created_by":41,"id":"2006594","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2006594"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02006594","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"Theoretical study of the X-ray absorption spectra of small formic acid clusters","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":"Yamanouchi, Saiko","creatorNameLang":"en"}],"familyNames":[{"familyName":"Yamanouchi","familyNameLang":"en"}],"givenNames":[{"givenName":"Saiko","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Yamamoto, Keisuke","creatorNameLang":"en"}],"familyNames":[{"familyName":"Yamamoto","familyNameLang":"en"}],"givenNames":[{"givenName":"Keisuke","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Tabayashi, Kiyohiko","creatorNameLang":"en"}],"familyNames":[{"familyName":"Tabayashi","familyNameLang":"en"}],"givenNames":[{"givenName":"Kiyohiko","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 Elsevier Ltd."}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"430","subitem_subject_scheme":"NDC"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"X-ray absorption spectra of small formic acid clusters, (HCOOH)n, n=1-4, were examined theoretically within the framework of density functional theory. For monomer, assignment of the first peak around 532 eV was consistent with the experiment, whereas the second peak around 535 eV was assigned to a mixture of three bands, O1s (C=O) →σ*(OH), O1s (OH) →π*(OH), and O1s (OH) →σ*(OH) excitations. For the dimer, relative intensities of the oscillator strengths of O1s (C=O) and O1s (OH) →σ*(OH) excitations decrease due to strong hydrogen bond formation, whereas those of O1s (C=O) and O1s (OH) →π*(C=O) excitations are insensitive to the dimerization.","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":"0009-2614","subitem_source_identifier_type":"ISSN"},{"subitem_source_identifier":"AA00602122","subitem_source_identifier_type":"NCID"}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"501"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2006-02","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"4-6","bibliographicPageEnd":"505","bibliographicPageStart":"501","bibliographicVolumeNumber":"419","bibliographic_titles":[{"bibliographic_title":"Chemical Physics Letters"},{"bibliographic_title":"Chemical Physics Letters"}]}]},"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.cplett.2005.12.027","subitem_relation_type_select":"DOI"}},{"subitem_relation_type_id":{"subitem_relation_type_id_text":"http://dx.doi.org/10.1016/j.cplett.2005.12.027","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":"ChemPhysLett_419_501.pdf","filesize":[{"value":"508.8 KB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2006594/files/ChemPhysLett_419_501.pdf"},"version_id":"5f376814-dba2-45e9-8163-7f72f93da43f"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"17049"},"item_title":"Theoretical study of the X-ray absorption spectra of small formic acid clusters","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":"2006594","relation_version_is_last":true,"title":["Theoretical study of the X-ray absorption spectra of small formic acid clusters"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T07:56:36.932528+00:00"}