{"created":"2023-07-27T06:41:19.389313+00:00","id":30468,"links":{},"metadata":{"_buckets":{"deposit":"785e9a8b-5871-47fb-898d-60d9c33a8387"},"_deposit":{"created_by":3,"id":"30468","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"30468"},"status":"published"},"_oai":{"id":"oai:kanazawa-u.repo.nii.ac.jp:00030468","sets":["4278:2147:2148"]},"author_link":["9908","11306","69077","561","2594","15083","2346","69076"],"item_4_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2015-11-17","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"16-17","bibliographicPageEnd":"2675","bibliographicPageStart":"2671","bibliographicVolumeNumber":"24","bibliographic_titles":[{"bibliographic_title":"Polyhedron"}]}]},"item_4_creator_33":{"attribute_name":"著者別表示","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"杉森, 公一"}],"nameIdentifiers":[{},{},{},{}]},{"creatorNames":[{"creatorName":"長尾, 秀実"}],"nameIdentifiers":[{},{}]},{"creatorNames":[{"creatorName":"櫻井, 武 "}],"nameIdentifiers":[{},{}]},{"creatorNames":[{"creatorName":"西川, 清"}],"nameIdentifiers":[{},{},{}]}]},"item_4_description_21":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We present a cluster model for the active site of oxidized azurin, and investigate the electronic structure of the active site of oxidized azurin by using density functional calculations with polarizable continuum model. The singly occupied molecular orbital and spin density in the model widely distribute around the Cu 3dx2-y2 and S(Cys112) 3p orbitals. The dependency of electronic properties such as partial charge density and spin density on the dielectric constant is discussed. We find that partial spin density and charge density on the copper ion become larger, when the dielectric constant increases. © 2005 Elsevier Ltd. All rights reserved.","subitem_description_type":"Abstract"}]},"item_4_description_22":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"Embargo Period 24 months","subitem_description_type":"Other"}]},"item_4_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.24517/00030455","subitem_identifier_reg_type":"JaLC"}]},"item_4_publisher_17":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Elsevier Ltd"}]},"item_4_relation_12":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1016/j.poly.2005.03.140","subitem_relation_type_select":"DOI"}}]},"item_4_relation_28":{"attribute_name":"関連URI","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"http://www.elsevier.com/locate/issn/02775387","subitem_relation_type_select":"URI"}}]},"item_4_rights_23":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright © Elsevier (CC-BY NC ND)"}]},"item_4_source_id_11":{"attribute_name":"NCID","attribute_value_mlt":[{"subitem_source_identifier":"AA10531370","subitem_source_identifier_type":"NCID"}]},"item_4_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0277-5387","subitem_source_identifier_type":"ISSN"}]},"item_4_version_type_25":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Sugimori, Kimikazu"}],"nameIdentifiers":[{},{},{},{}]},{"creatorNames":[{"creatorName":"Shuku, Tomofumi"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Sugiyama, Ayumu"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Nagao, Hidemi"}],"nameIdentifiers":[{},{},{},{}]},{"creatorNames":[{"creatorName":"Sakurai, Takeshi"}],"nameIdentifiers":[{},{},{}]},{"creatorNames":[{"creatorName":"Nishikawa, Kiyoshi"}],"nameIdentifiers":[{},{},{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2017-11-18"}],"displaytype":"detail","filename":"GS-PR-SUGIMORI-K-2671.pdf","filesize":[{"value":"2.8 MB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","url":{"label":"GS-PR-SUGIMORI-K-2671.pdf","url":"https://kanazawa-u.repo.nii.ac.jp/record/30468/files/GS-PR-SUGIMORI-K-2671.pdf"},"version_id":"862ee84a-b46a-482e-963f-7e47f24c9c70"}]},"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":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Solvent effects on electronic structure of active site of azurin by polarizable continuum model","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Solvent effects on electronic structure of active site of azurin by polarizable continuum model"}]},"item_type_id":"4","owner":"3","path":["2148"],"pubdate":{"attribute_name":"公開日","attribute_value":"2017-12-05"},"publish_date":"2017-12-05","publish_status":"0","recid":"30468","relation_version_is_last":true,"title":["Solvent effects on electronic structure of active site of azurin by polarizable continuum model"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-07-27T10:59:24.471189+00:00"}