{"created":"2021-03-01T06:38:37.684130+00:00","id":30321,"links":{},"metadata":{"_buckets":{"deposit":"12c882fc-c779-4e37-b534-4ff0a31fb58a"},"_deposit":{"id":"30321","owners":[],"pid":{"revision_id":0,"type":"depid","value":"30321"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00030321","sets":["320:321:322"]},"author_link":["100587","100588"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2020-03-21","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"11","bibliographicPageStart":"114108","bibliographicVolumeNumber":"152","bibliographic_titles":[{"bibliographic_title":"The Journal of Chemical Physics","bibliographic_titleLang":"en"}]}]},"item_10_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Solvent polarization around a polar solute molecule plays an essential role in determining the electronic and thermodynamic properties of solutions. In this study, a solvent-polarizable model in response to solute polarization is proposed, which is coupled with a three-dimensional reference interaction-site model theory. The charge-response kernel is used to describe solvent polarizability, and four different coupling schemes are assessed. The most feasible behavior scheme among them is the one that incorporates responses not only to solute polarization but also to solute-induced solvent polarization. The numerical results indicated that solvent molecules near the polar solute show significant polarization, and therefore, the model proposed here is useful for considering the solvation process and thermodynamics of polar solute molecules.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_10_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"ファイル公開：2021/03/21","subitem_description_language":"ja","subitem_description_type":"Other"}]},"item_10_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"AIP Publishing","subitem_publisher_language":"en"}]},"item_10_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1063/5.0004173","subitem_relation_type_select":"DOI"}}]},"item_10_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright 2020 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.The following article appeared in (The Journal of Chemical Physics. v.152, n.11, 2020, p.114108) and may be found at (http://dx.doi.org/10.1063/5.0004173).","subitem_rights_language":"en"}]},"item_10_select_15":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"publisher"}]},"item_10_source_id_61":{"attribute_name":"ISSN（print）","attribute_value_mlt":[{"subitem_source_identifier":"0021-9606","subitem_source_identifier_type":"PISSN"}]},"item_1615787544753":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Yoshida, Norio","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"100587","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Yamaguchi, Tsuyoshi","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"100588","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":"2021-03-21"}],"displaytype":"detail","filename":"5_0004173.pdf","filesize":[{"value":"2.9 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"5_0004173","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/30321/files/5_0004173.pdf"},"version_id":"61813439-5cd8-4bb1-b3f3-56553cac867e"}]},"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":"Development of a solvent-polarizable three-dimensional reference interaction-site model theory","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Development of a solvent-polarizable three-dimensional reference interaction-site model theory","subitem_title_language":"en"}]},"item_type_id":"10","owner":"1","path":["322"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2020-07-14"},"publish_date":"2020-07-14","publish_status":"0","recid":"30321","relation_version_is_last":true,"title":["Development of a solvent-polarizable three-dimensional reference interaction-site model theory"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:23:44.228049+00:00"}