{"created":"2023-07-25T09:07:31.053878+00:00","id":5898,"links":{},"metadata":{"_buckets":{"deposit":"05f10090-a20f-48c2-bcb8-ea4e6e1df4af"},"_deposit":{"created_by":3,"id":"5898","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"5898"},"status":"published"},"_oai":{"id":"oai:toyama.repo.nii.ac.jp:00005898","sets":["663:694:697:698:705"]},"author_link":["53707","53706","53705","53708"],"item_3_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2010-03","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"52","bibliographicPageStart":"50","bibliographicVolumeNumber":"7","bibliographic_titles":[{"bibliographic_title":"富山大学総合情報基盤センター広報"}]}]},"item_3_description_15":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_3_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"基本的な有機化合物約5,400種について,MM2及びMOPACを用いて構造最適化を行い,PDB形式の分子構造データ及びPM6法による計算で得られた分子軌道のデータをWebサイトに公開した。Jmolを利用し,分子構造及び分子軌道をWebページに直接表示することが可能である。","subitem_description_type":"Abstract"}]},"item_3_description_40":{"attribute_name":"資源タイプ(DSpace)","attribute_value_mlt":[{"subitem_description":"Article","subitem_description_type":"Other"}]},"item_3_description_6":{"attribute_name":"引用","attribute_value_mlt":[{"subitem_description":"富山大学総合情報基盤センター広報,vol.7,Page 50-52","subitem_description_type":"Other"}]},"item_3_full_name_3":{"attribute_name":"著者別名","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"53707","nameIdentifierScheme":"WEKO"}],"names":[{"name":"KIHARA, Hiroshi"}]},{"nameIdentifiers":[{"nameIdentifier":"53708","nameIdentifierScheme":"WEKO"}],"names":[{"name":"NAGAO, Teruo"}]}]},"item_3_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.15099/00005892","subitem_identifier_reg_type":"JaLC"}]},"item_3_publisher_33":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"富山大学総合情報基盤センター"}]},"item_3_source_id_10":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA12062000","subitem_source_identifier_type":"NCID"}]},"item_3_source_id_8":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1349-0796","subitem_source_identifier_type":"ISSN"}]},"item_3_subject_22":{"attribute_name":"国立国会図書館分類","attribute_value_mlt":[{"subitem_subject":"ZM13","subitem_subject_scheme":"NDLC"}]},"item_3_version_type_16":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"木原, 寛"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"長尾, 輝夫"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2016-02-17"}],"displaytype":"detail","filename":"ITC2010_50-56.pdf","filesize":[{"value":"858.7 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"ITC2010_50-56.pdf","url":"https://toyama.repo.nii.ac.jp/record/5898/files/ITC2010_50-56.pdf"},"version_id":"63e060c7-d2fa-4e46-afb1-da7e1a222564"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"分子モデル","subitem_subject_scheme":"Other"},{"subitem_subject":"分子模型","subitem_subject_scheme":"Other"},{"subitem_subject":"分子軌道","subitem_subject_scheme":"Other"},{"subitem_subject":"計算化学","subitem_subject_scheme":"Other"},{"subitem_subject":"Jmol","subitem_subject_scheme":"Other"},{"subitem_subject":"PDB","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"departmental bulletin paper","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Jmol版分子構造・分子軌道データ集の公開","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Jmol版分子構造・分子軌道データ集の公開"}]},"item_type_id":"3","owner":"3","path":["705"],"pubdate":{"attribute_name":"公開日","attribute_value":"2010-06-30"},"publish_date":"2010-06-30","publish_status":"0","recid":"5898","relation_version_is_last":true,"title":["Jmol版分子構造・分子軌道データ集の公開"],"weko_creator_id":"3","weko_shared_id":-1},"updated":"2023-07-25T15:57:07.415338+00:00"}