{"created":"2024-12-21T06:49:08.220266+00:00","id":2000247,"links":{},"metadata":{"_buckets":{"deposit":"3f8ee975-f41d-4af3-9de9-f5b5b023bd1b"},"_deposit":{"created_by":14,"id":"2000247","owner":"14","owners":[14],"pid":{"revision_id":0,"type":"depid","value":"2000247"},"status":"published"},"_oai":{"id":"oai:kitakyu.repo.nii.ac.jp:02000247","sets":["11:10"]},"author_link":[],"control_number":"2000247","item_10006_alternative_title_1":{"attribute_name":"その他（別言語等）のタイトル","attribute_value_mlt":[{"subitem_alternative_title":"計算化学：評価、強化および活用","subitem_alternative_title_language":"ja"}]},"item_10006_date_granted_11":{"attribute_name":"学位授与年月日","attribute_value_mlt":[{"subitem_dategranted":"2024-09-25"}]},"item_10006_degree_grantor_9":{"attribute_name":"item_10006_degree_grantor_9","attribute_value_mlt":[{"subitem_degreegrantor":[{"subitem_degreegrantor_language":"ja","subitem_degreegrantor_name":"北九州市立大学"}],"subitem_degreegrantor_identifier":[{"subitem_degreegrantor_identifier_name":"27101","subitem_degreegrantor_identifier_scheme":"kakenhi"}]}]},"item_10006_degree_name_8":{"attribute_name":"学位名","attribute_value_mlt":[{"subitem_degreename":"博士(学術)","subitem_degreename_language":"ja"}]},"item_10006_description_7":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Computational chemistry has emerged as a crucial tool in various scientific disciplines, offering significant insights and advancements across fields such as pharmaceutical science, material science, environmental engineering, nanoscience, and solar energy research. This PhD thesis, \"Computational Chemistry: Assessed, Enhanced, and Harnessed\" presents a comprehensive exploration of computational chemistry both as an independent scientific discipline and as a means to enhance other areas of research. Overall, this thesis demonstrates the versatility and critical importance of computational chemistry in advancing scientific knowledge and solving complex problems across multiple disciplines. It emphasizes the dual role of computational chemistry as both a supporting tool and a field of study in its own right, contributing to significant advancements in environmental engineering, biology, and beyond.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_10006_dissertation_number_12":{"attribute_name":"dissertation_number","attribute_value_mlt":[{"subitem_dissertationnumber":"甲第125号"}]},"item_10006_full_name_3":{"attribute_name":"著者別名","attribute_value_mlt":[{"names":[{"name":"メチン　メルト","nameLang":"ja"}]}]},"item_10006_version_type_18":{"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":"Metin Mert","creatorNameLang":"en"}]}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"Antioxidant|Benchmark|Computational chemistry|Corrosion inhibition|DFT|IR|Microbial nicotine metabolites|NMR|Quantum mechanics|Molecular dynamics","subitem_subject_language":"en","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"item_resource_type","attribute_value_mlt":[{"resourcetype":"doctoral thesis","resourceuri":"http://purl.org/coar/resource_type/c_db06"}]},"item_title":"Computational Chemistry: Assessed, Enhanced, and Harnessed","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Computational Chemistry: Assessed, Enhanced, and Harnessed","subitem_title_language":"en"}]},"item_type_id":"10006","owner":"14","path":["10"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2024-12-21"},"publish_date":"2024-12-21","publish_status":"0","recid":"2000247","relation_version_is_last":true,"title":["Computational Chemistry: Assessed, Enhanced, and Harnessed"],"weko_creator_id":"14","weko_shared_id":-1},"updated":"2024-12-21T07:51:20.647489+00:00"}