{"created":"2023-06-20T15:28:18.935720+00:00","id":7320,"links":{},"metadata":{"_buckets":{"deposit":"6e3d89df-3b43-4853-b29b-b9a5d2ab2ed8"},"_deposit":{"created_by":3,"id":"7320","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"7320"},"status":"published"},"_oai":{"id":"oai:ouj.repo.nii.ac.jp:00007320","sets":["470:394:452"]},"author_link":["9071","9070"],"item_10002_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"1993-03-30","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"153","bibliographicPageStart":"133","bibliographicVolumeNumber":"10","bibliographic_titles":[{"bibliographic_title":"放送大学研究年報"},{"bibliographic_title":"Journal of the University of the Air","bibliographic_titleLang":"en"}]}]},"item_10002_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"　ClHmNn（l＝1-3，m＝3-9，n＝1-2）型の44個の分子に属する74個のコンホマーに関し，4-31G（N*）基底関数系を用いて完全な構造最適化を行った．そのうちの41個のコンホマーについては振動数も計算した。それらのリストを公表する．本研究の背景，計算化学の現状，表題の分子の計算結果の信頼性に対してコメントした．アクリロニトリルを例として選び，本計算の信頼性，精度，予測性などに対する検討を行った．","subitem_description_type":"Abstract"}]},"item_10002_source_id_11":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AN10019636","subitem_source_identifier_type":"NCID"}]},"item_10002_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0911-4505","subitem_source_identifier_type":"ISSN"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"濱田, 嘉昭"},{"creatorName":"ハマダ, ヨシアキ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"9070","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Hamada, Yoshiaki","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"9071","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2013-06-14"}],"displaytype":"detail","filename":"NO_10-133-153.pdf","filesize":[{"value":"1.5 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"NO_10-133-153","url":"https://ouj.repo.nii.ac.jp/record/7320/files/NO_10-133-153.pdf"},"version_id":"73a5ef68-8929-4009-a187-f3e3876c9943"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"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":"4-31G(N*)基底関数系によるClHmNn(l=1-3, m=3-9, n=1-2)分子の構造と振動数 : 計算化学の概念","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"4-31G(N*)基底関数系によるClHmNn(l=1-3, m=3-9, n=1-2)分子の構造と振動数 : 計算化学の概念"},{"subitem_title":"Geometries and Vibrational Frequencies of ClHmNn(l=1-3, m=3-9, n=1-2) Molecules by a 4-31G(N*) Basis Set : A short review of computational chemistry","subitem_title_language":"en"}]},"item_type_id":"10002","owner":"3","path":["452"],"pubdate":{"attribute_name":"公開日","attribute_value":"2013-06-14"},"publish_date":"2013-06-14","publish_status":"0","recid":"7320","relation_version_is_last":true,"title":["4-31G(N*)基底関数系によるClHmNn(l=1-3, m=3-9, n=1-2)分子の構造と振動数 : 計算化学の概念"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-06-20T16:16:45.027920+00:00"}