{"created":"2023-07-25T09:05:42.901353+00:00","id":3838,"links":{},"metadata":{"_buckets":{"deposit":"3048b83c-f73c-47ea-aa34-2d8c45911a49"},"_deposit":{"created_by":3,"id":"3838","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"3838"},"status":"published"},"_oai":{"id":"oai:toyama.repo.nii.ac.jp:00003838","sets":["496:556:559:560:573"]},"author_link":["54992","54991","54990","54989"],"item_3_alternative_title_19":{"attribute_name":"その他（別言語等）のタイトル","attribute_value_mlt":[{"subitem_alternative_title":"A Study on Hydrogen Bond I"}]},"item_3_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"1962-03-20","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1/2","bibliographicPageEnd":"198","bibliographicPageStart":"192","bibliographicVolumeNumber":"13","bibliographic_titles":[{"bibliographic_title":"富山大学工学部紀要"}]}]},"item_3_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Using lenear combined atomic orbital self-consistent molecular orbitals method, we calculate the electronic structure in the hydrogen bonding X-H-Y. The interactiosn of all electrons have been explicitly considered and no extrageometrical empirical data have been used. A large number of integrals over aiomic orbita1s have been evaluated, all the large integrals were calculated exactly. These results are shown in many tables.","subitem_description_type":"Abstract"},{"subitem_description":"水素結合に関する問題については沢山の実験的な結果が報告されているけれども，理論的な定量的な考察は案外少ない。\nそしてその水素結合の形成についての条件については部分的に論ぜられているにすぎないのである。\n水素結合に関する問題として次の三点が特に重要である。 \n1.第一に静電的に起るとみなされる水素結合はそれがion-dipole interactionによって起るのか，dipole-dipole interactionによって起るのか。 \n2.水素原子がbondのどの位置にあるのか。 \n3.水素結合を形成するelementはごくかぎられたもの（例えばN，0，F等）であることはどうしてであろうか。 \nそこで我々は第一段階として水素結合の中で最も顕著なものとして古くから早く注意されて来た(FHF)-分子について以前に計算考察した。\nここでは更に一般的にX-H-Yについて現在の分子構造論において最も精度の高いと考えられるLCAO SCF MO法によって計算をすすめて水素結合の本質的な事柄を調べて行こうと考える。\nすべての電子が考慮されて，X-H-Yの幾何学的のconfiguration以外は全く非経験的に問題を解く。","subitem_description_type":"Abstract"}]},"item_3_description_40":{"attribute_name":"資源タイプ(DSpace)","attribute_value_mlt":[{"subitem_description":"Article","subitem_description_type":"Other"}]},"item_3_description_6":{"attribute_name":"引用","attribute_value_mlt":[{"subitem_description":"富山大学工学部紀要，13(1/2)","subitem_description_type":"Other"}]},"item_3_full_name_3":{"attribute_name":"著者別名","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"54991","nameIdentifierScheme":"WEKO"}],"names":[{"name":"NAGAHARA, Shigeru"}]},{"nameIdentifiers":[{"nameIdentifier":"54992","nameIdentifierScheme":"WEKO"}],"names":[{"name":"SAWAI, Kisaku"}]}]},"item_3_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.15099/00003832","subitem_identifier_reg_type":"JaLC"}]},"item_3_publisher_33":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"富山大学工学部"}]},"item_3_source_id_10":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AN00175872","subitem_source_identifier_type":"NCID"}]},"item_3_source_id_8":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"03871339","subitem_source_identifier_type":"ISSN"}]},"item_3_subject_22":{"attribute_name":"国立国会図書館分類","attribute_value_mlt":[{"subitem_subject":"ZM2","subitem_subject_scheme":"NDLC"}]},"item_3_version_type_16":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"永原, 茂"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"沢井, 喜作"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2016-02-16"}],"displaytype":"detail","filename":"Kokiyo_13_01_Page192to198.pdf","filesize":[{"value":"1.5 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"Kokiyo_13_01_Page192to198.pdf","url":"https://toyama.repo.nii.ac.jp/record/3838/files/Kokiyo_13_01_Page192to198.pdf"},"version_id":"20e5ffaa-73ec-43fd-a56c-67d9e2730091"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"水素結合","subitem_subject_scheme":"Other"},{"subitem_subject":"ion -dipole interaction","subitem_subject_scheme":"Other"},{"subitem_subject":"水素原子","subitem_subject_scheme":"Other"},{"subitem_subject":"X-H-Y","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"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":"水素結合に関する研究 I","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"水素結合に関する研究 I"}]},"item_type_id":"3","owner":"3","path":["573"],"pubdate":{"attribute_name":"公開日","attribute_value":"2012-09-19"},"publish_date":"2012-09-19","publish_status":"0","recid":"3838","relation_version_is_last":true,"title":["水素結合に関する研究 I"],"weko_creator_id":"3","weko_shared_id":-1},"updated":"2023-07-25T15:15:59.042488+00:00"}