{"created":"2023-05-15T15:25:25.715668+00:00","id":13056,"links":{},"metadata":{"_buckets":{"deposit":"b4cd931e-661a-40c1-bc46-adec3ac67891"},"_deposit":{"created_by":3,"id":"13056","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"13056"},"status":"published"},"_oai":{"id":"oai:sucra.repo.nii.ac.jp:00013056","sets":["94:426"]},"author_link":["16708"],"item_119_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2007","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1-3","bibliographicPageEnd":"32","bibliographicPageStart":"28","bibliographicVolumeNumber":"449","bibliographic_titles":[{"bibliographic_title":"CHEMICAL PHYSICS LETTERS"}]}]},"item_119_date_31":{"attribute_name":"作成日","attribute_value_mlt":[{"subitem_date_issued_datetime":"2008-01-24","subitem_date_issued_type":"Created"}]},"item_119_description_17":{"attribute_name":"関連サイト","attribute_value_mlt":[{"subitem_description":"http://www.sciencedirect.com/science/journal/00092614 | http://www.sciencedirect.com/science/journal/00092614","subitem_description_type":"Other"}]},"item_119_description_19":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Path integral molecular dynamics simulations for the H-6(+) and D-6(+) cluster cations have been carried out in order to understand the floppy nature of their molecular structure due to quantum-mechanical fluctuation. A full-dimensional analytical potential energy surface for the ground electronic state of H-6(+) has been developed on the basis of accurate ab initio electronic structure calculations at the CCSD(T)/cc-pVTZ level. It is found that the outer H-2(D-2) nuclei rotate almost freely and that the probability density distributions of the central H-2(D-2) nuclei show strong spatial delocalization. (c) 2007 Elsevier B.V. All rights reserved.","subitem_description_type":"Abstract"}]},"item_119_description_29":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"text","subitem_description_type":"Other"}]},"item_119_description_30":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_119_publisher_11":{"attribute_name":"出版者名","attribute_value_mlt":[{"subitem_publisher":"ELSEVIER SCIENCE BV"}]},"item_119_relation_16":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"info:doi/10.1016/j.cplett.2007.10.032","subitem_relation_type_select":"DOI"}}]},"item_119_source_id_14":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"00092614","subitem_source_identifier_type":"ISSN"}]},"item_119_text_27":{"attribute_name":"版","attribute_value_mlt":[{"subitem_text_value":"[著者版]"}]},"item_119_text_3":{"attribute_name":"著者 ローマ字","attribute_value_mlt":[{"subitem_text_value":"Takayanagi, Toshiyuki"}]},"item_119_text_32":{"attribute_name":"アイテムID","attribute_value_mlt":[{"subitem_text_value":"A1002403"}]},"item_119_text_4":{"attribute_name":"著者 所属","attribute_value_mlt":[{"subitem_text_value":"埼玉大学大学院理工学研究科物質科学部門"}]},"item_119_text_5":{"attribute_name":"著者 所属(別言語)","attribute_value_mlt":[{"subitem_text_value":"Graduate School of Science and Engineering, Saitama University"}]},"item_119_text_9":{"attribute_name":"年月次","attribute_value_mlt":[{"subitem_text_value":"2007-11"}]},"item_119_version_type_28":{"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":"高柳, 敏幸"},{"creatorName":"タカヤナギ, トシユキ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{},{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2018-01-24"}],"displaytype":"detail","filename":"A1002403.pdf","filesize":[{"value":"1.2 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"A1002403.pdf","url":"https://sucra.repo.nii.ac.jp/record/13056/files/A1002403.pdf"},"version_id":"8420062a-ba0a-427b-b9d8-1e435c38ff52"}]},"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":"Path integral molecular dynamics calculations of the H-6(+) and D-6(+) clusters on an ab initio potential energy surface","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Path integral molecular dynamics calculations of the H-6(+) and D-6(+) clusters on an ab initio potential energy surface"}]},"item_type_id":"119","owner":"3","path":["426"],"pubdate":{"attribute_name":"公開日","attribute_value":"2008-01-24"},"publish_date":"2008-01-24","publish_status":"0","recid":"13056","relation_version_is_last":true,"title":["Path integral molecular dynamics calculations of the H-6(+) and D-6(+) clusters on an ab initio potential energy surface"],"weko_creator_id":"3","weko_shared_id":-1},"updated":"2023-05-16T12:42:08.528747+00:00"}