{"id":"https://openalex.org/W1998613783","doi":"https://doi.org/10.1016/s0009-2614(01)01416-6","title":"Fragment molecular orbital method: use of approximate electrostatic potential","display_name":"Fragment molecular orbital method: use of approximate electrostatic potential","publication_year":2002,"publication_date":"2002-01-01","ids":{"openalex":"https://openalex.org/W1998613783","doi":"https://doi.org/10.1016/s0009-2614(01)01416-6","mag":"1998613783"},"language":"en","primary_location":{"id":"doi:10.1016/s0009-2614(01)01416-6","doi":"https://doi.org/10.1016/s0009-2614(01)01416-6","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0009-2614(01)01416-6","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics Letters","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W1998613783"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103077679","display_name":"Tatsuya Nakano","orcid":"https://orcid.org/0000-0001-9928-5269","observed_orcids":["https://orcid.org/0000-0001-9928-5269"]},"institutions":[{"id":"https://openalex.org/I4210151964","display_name":"National Institute of Health Sciences","ror":"https://ror.org/04s629c33","country_code":"JP","type":"facility","lineage":["https://openalex.org/I1333985979","https://openalex.org/I4210151964"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Tatsuya Nakano","raw_affiliation_strings":["Division of Chem-Bio Informatics, National Institute of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Chem-Bio Informatics, National Institute of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan","institution_ids":["https://openalex.org/I4210151964"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084664287","display_name":"Tsuguchika Kaminuma","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210151964","display_name":"National Institute of Health Sciences","ror":"https://ror.org/04s629c33","country_code":"JP","type":"facility","lineage":["https://openalex.org/I1333985979","https://openalex.org/I4210151964"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Tsuguchika Kaminuma","raw_affiliation_strings":["Division of Chem-Bio Informatics, National Institute of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Chem-Bio Informatics, National Institute of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan","institution_ids":["https://openalex.org/I4210151964"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103378982","display_name":"Toshiyuki Sato","orcid":"https://orcid.org/0009-0008-2959-2245","observed_orcids":["https://orcid.org/0009-0008-2959-2245"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Toshiyuki Sato","raw_affiliation_strings":["Center for Computational Science and Engineering, Fuji Research Institute Corporation, 2-3 Kanda Nishiki-cho, Chiyoda-ku, Tokyo 101-8443, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Computational Science and Engineering, Fuji Research Institute Corporation, 2-3 Kanda Nishiki-cho, Chiyoda-ku, Tokyo 101-8443, Japan","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079773397","display_name":"Kaori Fukuzawa","orcid":"https://orcid.org/0000-0001-5357-8250","observed_orcids":["https://orcid.org/0000-0001-5357-8250"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kaori Fukuzawa","raw_affiliation_strings":["Center for Computational Science and Engineering, Fuji Research Institute Corporation, 2-3 Kanda Nishiki-cho, Chiyoda-ku, Tokyo 101-8443, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Computational Science and Engineering, Fuji Research Institute Corporation, 2-3 Kanda Nishiki-cho, Chiyoda-ku, Tokyo 101-8443, Japan","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067025136","display_name":"Yutaka Akiyama","orcid":"https://orcid.org/0000-0003-2863-8703","observed_orcids":["https://orcid.org/0000-0003-2863-8703"]},"institutions":[{"id":"https://openalex.org/I73613424","display_name":"National Institute of Advanced Industrial Science and Technology","ror":"https://ror.org/01703db54","country_code":"JP","type":"government","lineage":["https://openalex.org/I73613424"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Yutaka Akiyama","raw_affiliation_strings":["Computational Biology Research Center, National Institute of Advanced Industrial Science and Technology, 2-41-6 Aomi, Koto-ku, Tokyo 135-0064, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computational Biology Research Center, National Institute of Advanced Industrial Science and Technology, 2-41-6 Aomi, Koto-ku, Tokyo 135-0064, Japan","institution_ids":["https://openalex.org/I73613424"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016442665","display_name":"Masami Uebayasi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I73613424","display_name":"National Institute of Advanced Industrial Science and Technology","ror":"https://ror.org/01703db54","country_code":"JP","type":"government","lineage":["https://openalex.org/I73613424"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Masami Uebayasi","raw_affiliation_strings":["Institute of Molecular and Cell Biology, National Institute of Advanced Industrial Science and Technology, 1-1-1 Higashi, Tsukuba, Ibaraki 305-8566, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Molecular and Cell Biology, National Institute of Advanced Industrial Science and Technology, 1-1-1 Higashi, Tsukuba, Ibaraki 305-8566, Japan","institution_ids":["https://openalex.org/I73613424"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5112275575","display_name":"Kazuo Kitaura","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I73613424","display_name":"National Institute of Advanced Industrial Science and Technology","ror":"https://ror.org/01703db54","country_code":"JP","type":"government","lineage":["https://openalex.org/I73613424"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Kazuo Kitaura","raw_affiliation_strings":["Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan","institution_ids":["https://openalex.org/I73613424"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5103077679"],"corresponding_institution_ids":["https://openalex.org/I4210151964"],"apc_list":{"value":3270,"currency":"USD","value_usd":3270},"apc_paid":null,"fwci":6.4897,"has_fulltext":false,"cited_by_count":434,"citation_normalized_percentile":{"value":0.97621713,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"351","issue":"5-6","first_page":"475","last_page":"480"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.0006000000284984708,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.00039999998989515007,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/fragment-molecular-orbital-method","display_name":"fragment molecular orbital method","score":1.0},{"id":"https://openalex.org/keywords/two-electron-integrals","display_name":"two-electron integrals","score":0.9350000023841858},{"id":"https://openalex.org/keywords/proteins","display_name":"proteins","score":0.7089999914169312},{"id":"https://openalex.org/keywords/polypeptides","display_name":"polypeptides","score":0.9950000047683716},{"id":"https://openalex.org/keywords/total-energy","display_name":"total energy","score":0.7390000224113464},{"id":"https://openalex.org/keywords/molecular-geometry","display_name":"molecular geometry","score":0.7170000076293945}],"concepts":[{"id":"https://openalex.org/C105302883","wikidata":"https://www.wikidata.org/wiki/Q5477685","display_name":"Fragment molecular orbital","level":4,"score":0.8522258996963501},{"id":"https://openalex.org/C2776235265","wikidata":"https://www.wikidata.org/wiki/Q18392052","display_name":"Fragment (logic)","level":2,"score":0.6678740978240967},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.6182507276535034},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.6058837175369263},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5871993899345398},{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.5671082139015198},{"id":"https://openalex.org/C7214806","wikidata":"https://www.wikidata.org/wiki/Q2957735","display_name":"Mulliken population analysis","level":3,"score":0.522742509841919},{"id":"https://openalex.org/C175749648","wikidata":"https://www.wikidata.org/wiki/Q1068091","display_name":"Point particle","level":2,"score":0.508098840713501},{"id":"https://openalex.org/C28719098","wikidata":"https://www.wikidata.org/wiki/Q44946","display_name":"Point (geometry)","level":2,"score":0.4640597105026245},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4554547667503357},{"id":"https://openalex.org/C117626034","wikidata":"https://www.wikidata.org/wiki/Q26336","display_name":"Electrostatics","level":2,"score":0.44220080971717834},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.4273313879966736},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.41733503341674805},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.4163416624069214},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.4127788543701172},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.410850465297699},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3631041944026947},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.34400707483291626},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.2630378007888794},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.25723302364349365},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.15932992100715637},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1406475305557251},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.11597543954849243}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1016/s0009-2614(01)01416-6","doi":"https://doi.org/10.1016/s0009-2614(01)01416-6","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0009-2614(01)01416-6","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics Letters","raw_type":"journal-article"},{"id":"pmh:oai:irdb.nii.ac.jp:00897:0003944845","doi":null,"is_oa":false,"landing_page_url":"http://t2r2.star.titech.ac.jp/cgi-bin/publicationinfo.cgi?q_publication_content_number=CTT100507754","pdf_url":null,"source":{"id":"https://openalex.org/S7407056385","display_name":"Institutional Repositories DataBase (IRDB)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I184597095","host_organization_name":"National Institute of Informatics","host_organization_lineage":["https://openalex.org/I184597095"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chemical Physics Letters","raw_type":"journal article"},{"id":"pmh:oai:t2r2.star.titech.ac.jp:50000604","doi":null,"is_oa":false,"landing_page_url":"http://t2r2.star.titech.ac.jp/cgi-bin/publicationinfo.cgi?q_publication_content_number=CTT100507754","pdf_url":null,"source":{"id":"https://openalex.org/S4377196385","display_name":"Tokyo Tech Research Repository (Tokyo Institute of Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I114531698","host_organization_name":"Tokyo Institute of Technology","host_organization_lineage":["https://openalex.org/I114531698"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":6,"referenced_works":["https://openalex.org/W1986318301","https://openalex.org/W2027830448","https://openalex.org/W2080384673","https://openalex.org/W2095148640","https://openalex.org/W2131260498","https://openalex.org/W2143534385"],"related_works":["https://openalex.org/W2769894179","https://openalex.org/W2095148640","https://openalex.org/W1986318301","https://openalex.org/W7098057442","https://openalex.org/W1981266395","https://openalex.org/W2095328094","https://openalex.org/W2092240157","https://openalex.org/W2139146977","https://openalex.org/W2010338535","https://openalex.org/W4403017080"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":11},{"year":2025,"cited_by_count":13},{"year":2024,"cited_by_count":10},{"year":2023,"cited_by_count":10},{"year":2022,"cited_by_count":12},{"year":2021,"cited_by_count":21},{"year":2020,"cited_by_count":22},{"year":2019,"cited_by_count":15},{"year":2018,"cited_by_count":24},{"year":2017,"cited_by_count":19},{"year":2016,"cited_by_count":15},{"year":2015,"cited_by_count":18},{"year":2014,"cited_by_count":29},{"year":2013,"cited_by_count":15},{"year":2012,"cited_by_count":24}],"updated_date":"2026-11-14T11:04:58.165337","created_date":"2016-06-24T00:00:00"}
