{"created":"2023-07-25T09:07:29.228108+00:00","id":5870,"links":{},"metadata":{"_buckets":{"deposit":"906f93ad-771e-4def-b946-1add39b8f7d9"},"_deposit":{"created_by":3,"id":"5870","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"5870"},"status":"published"},"_oai":{"id":"oai:toyama.repo.nii.ac.jp:00005870","sets":["663:694:697:698:704"]},"author_link":["53775","53774"],"item_3_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2009-03","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"48","bibliographicPageStart":"43","bibliographicVolumeNumber":"6","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":"分子軌道法計算は，化学の諸現象を説明する際の理論的根拠を与えるものとして，研究のみならず教育の分野でもしばらく前からその重要性が高まってきている。\n本稿では，無償で利用可能な非経験的分子軌道法パッケージGAMESSと計算化学プリ・ポストシステムWinmostarとを組み合わせて，机上のパソコンで非経験的分子軌道法計算を実行するための環境を構築する方法について解説する。","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.6，Page 43-48","subitem_description_type":"Other"}]},"item_3_full_name_3":{"attribute_name":"著者別名","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"53775","nameIdentifierScheme":"WEKO"}],"names":[{"name":"KIHARA, Hiroshi"}]}]},"item_3_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.15099/00005864","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":[{}]}]},"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":"ITC2009_43-48.pdf","filesize":[{"value":"777.3 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"ITC2009_43-48.pdf","url":"https://toyama.repo.nii.ac.jp/record/5870/files/ITC2009_43-48.pdf"},"version_id":"db0ad2f8-5fec-4e61-b2f9-72b21698179c"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"分子軌道法","subitem_subject_scheme":"Other"},{"subitem_subject":"計算化学","subitem_subject_scheme":"Other"},{"subitem_subject":"GAMESS","subitem_subject_scheme":"Other"},{"subitem_subject":"Winmostar","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":"WinmostarとGAMESSによるデスクトップab initio分子軌道法計算環境","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"WinmostarとGAMESSによるデスクトップab initio分子軌道法計算環境"}]},"item_type_id":"3","owner":"3","path":["704"],"pubdate":{"attribute_name":"公開日","attribute_value":"2010-08-18"},"publish_date":"2010-08-18","publish_status":"0","recid":"5870","relation_version_is_last":true,"title":["WinmostarとGAMESSによるデスクトップab initio分子軌道法計算環境"],"weko_creator_id":"3","weko_shared_id":-1},"updated":"2023-07-25T15:56:58.868829+00:00"}