{"created":"2021-03-01T06:06:46.762012+00:00","id":4947,"links":{},"metadata":{"_buckets":{"deposit":"c6c9e4a1-7263-4d8f-989b-b87d38a548bc"},"_deposit":{"id":"4947","owners":[],"pid":{"revision_id":0,"type":"depid","value":"4947"},"status":"published"},"_oai":{"id":"oai:teapot.lib.ocha.ac.jp:00004947","sets":["226:216:221"]},"control_number":"4947","item_12_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2000-10-23","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"2000","bibliographicPageEnd":"8","bibliographicPageStart":"7","bibliographic_titles":[{"bibliographic_title":"日本液晶学会討論会講演予稿集"}]}]},"item_12_description_17":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_12_description_46":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"学術雑誌論文","subitem_description_type":"Other"}]},"item_12_description_6":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Molecular orbital (MO) calculation and molecular dynamics (MD) simulation were carried out for a set of smectic liquid crystalline molecules, 8O-O8 (4-octyloxyphenyl-4'-octyloxybiphenyl-4-carboxylate) and 8O-8 (4-octylphenyl-4'-octyloxybiphenyl-4-carboxylate), to understand the molecular origin of different crystalline structure formation and to predict their conformational property in liquid crystalline phases. 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