{"created":"2023-05-15T15:25:20.686347+00:00","id":12939,"links":{},"metadata":{"_buckets":{"deposit":"3060bcf8-7e7e-4514-9c4e-6b3728c5169a"},"_deposit":{"created_by":3,"id":"12939","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"12939"},"status":"published"},"_oai":{"id":"oai:sucra.repo.nii.ac.jp:00012939","sets":["94:426"]},"author_link":["16708","20428"],"item_119_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2006","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1-3","bibliographicPageEnd":"33","bibliographicPageStart":"28","bibliographicVolumeNumber":"431","bibliographic_titles":[{"bibliographic_title":"CHEMICAL PHYSICS LETTERS"}]}]},"item_119_date_31":{"attribute_name":"作成日","attribute_value_mlt":[{"subitem_date_issued_datetime":"2007-10-16","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":"Direct molecular dynamics simulations have been carried out to understand the relaxation dynamics of photoexcited charge-transfer-to-solvent (CTTS) states for the I-(H2O)(6) Cluster and the subsequent excess electron stabilization dynamics by solvent molecules. Due to a small singlet-triplet splitting, the lowest triplet potential energy surface at the B3LYP-level calculations was used to model the CTTS singlet excited-state surface. Two book-type structures, which correspond to the lowest ground-state minimum-energy geometries, were vertically excited with the initial kinetic energy being zero. Although these two structures have a very similar geometry, it was found that the excess electron localization dynamics was totally different. (c) 2006 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 B.V."}]},"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.2006.09.051","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":"Takahashi, Kenta"},{"subitem_text_value":"Takayanagi, Toshiyuki"}]},"item_119_text_32":{"attribute_name":"アイテムID","attribute_value_mlt":[{"subitem_text_value":"A1002270"}]},"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"},{"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"},{"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":"2006-11"}]},"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":"Takahashi, Kenta"},{"creatorName":"タカハシ, ケンタ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{}]},{"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":"A1002270.pdf","filesize":[{"value":"623.3 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"A1002270.pdf","url":"https://sucra.repo.nii.ac.jp/record/12939/files/A1002270.pdf"},"version_id":"bfc05cdb-2182-4f1b-b3a5-99aa95708a85"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"RELAXATION PATHWAY","subitem_subject_scheme":"Other"},{"subitem_subject":"AB-INITIO","subitem_subject_scheme":"Other"},{"subitem_subject":"DETACHMENT ENERGIES","subitem_subject_scheme":"Other"},{"subitem_subject":"I-(H_2O)(N) CLUSTERS","subitem_subject_scheme":"Other"},{"subitem_subject":"ELECTRON SOLVATION","subitem_subject_scheme":"Other"},{"subitem_subject":"PRECURSOR","subitem_subject_scheme":"Other"},{"subitem_subject":"IODIDE","subitem_subject_scheme":"Other"}]},"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":"Direct dynamics simulations of photoexcited charge-transfer-to-solvent states of the I- (H2O)(6) cluster","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Direct dynamics simulations of photoexcited charge-transfer-to-solvent states of the I- (H2O)(6) cluster"}]},"item_type_id":"119","owner":"3","path":["426"],"pubdate":{"attribute_name":"公開日","attribute_value":"2007-10-17"},"publish_date":"2007-10-17","publish_status":"0","recid":"12939","relation_version_is_last":true,"title":["Direct dynamics simulations of photoexcited charge-transfer-to-solvent states of the I- (H2O)(6) cluster"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2023-05-16T09:23:16.760081+00:00"}