{"id":"https://openalex.org/W2908299702","doi":"https://doi.org/10.1016/s1380-7323(02)80007-3","title":"A spin\u2013free approach for valence bond theory and its applications","display_name":"A spin\u2013free approach for valence bond theory and its applications","publication_year":2002,"publication_date":"2002-01-01","ids":{"openalex":"https://openalex.org/W2908299702","doi":"https://doi.org/10.1016/s1380-7323(02)80007-3","mag":"2908299702"},"language":"en","primary_location":{"id":"doi:10.1016/s1380-7323(02)80007-3","doi":"https://doi.org/10.1016/s1380-7323(02)80007-3","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s1380-7323(02)80007-3","pdf_url":null,"source":{"id":"https://openalex.org/S199924676","display_name":"Theoretical and computational chemistry","issn_l":"1380-7323","issn":["1380-7323","2212-1617"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","poland-20","russia-white-list-4"],"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":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Theoretical and Computational Chemistry","raw_type":"book-chapter"},"volume":{"id":"https://openalex.org/W4245273611","display_name":"Valence Bond Theory"},"type":"book-chapter","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/A5005841986","display_name":"Wei Wu","orcid":"https://orcid.org/0000-0002-6139-5443","observed_orcids":["https://orcid.org/0000-0002-6139-5443"]},"institutions":[{"id":"https://openalex.org/I191208505","display_name":"Xiamen University","ror":"https://ror.org/00mcjh785","country_code":"CN","type":"education","lineage":["https://openalex.org/I191208505"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Wu","raw_affiliation_strings":["Department of Chemistry, The State Key Laboratory for Physical Chemistry of Solid Surfaces, and Institute of Physical Chemistry, Xiamen University, Xiamen, Fujian 361005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, The State Key Laboratory for Physical Chemistry of Solid Surfaces, and Institute of Physical Chemistry, Xiamen University, Xiamen, Fujian 361005, China","institution_ids":["https://openalex.org/I191208505"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011717029","display_name":"Yirong Mo","orcid":"https://orcid.org/0000-0002-2994-7754","observed_orcids":["https://orcid.org/0000-0002-2994-7754"]},"institutions":[{"id":"https://openalex.org/I191208505","display_name":"Xiamen University","ror":"https://ror.org/00mcjh785","country_code":"CN","type":"education","lineage":["https://openalex.org/I191208505"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yirong Mo","raw_affiliation_strings":["Department of Chemistry, The State Key Laboratory for Physical Chemistry of Solid Surfaces, and Institute of Physical Chemistry, Xiamen University, Xiamen, Fujian 361005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, The State Key Laboratory for Physical Chemistry of Solid Surfaces, and Institute of Physical Chemistry, Xiamen University, Xiamen, Fujian 361005, China","institution_ids":["https://openalex.org/I191208505"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018002453","display_name":"Zexing Cao","orcid":"https://orcid.org/0000-0003-0803-7732","observed_orcids":["https://orcid.org/0000-0003-0803-7732"]},"institutions":[{"id":"https://openalex.org/I191208505","display_name":"Xiamen University","ror":"https://ror.org/00mcjh785","country_code":"CN","type":"education","lineage":["https://openalex.org/I191208505"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zexing Cao","raw_affiliation_strings":["Department of Chemistry, The State Key Laboratory for Physical Chemistry of Solid Surfaces, and Institute of Physical Chemistry, Xiamen University, Xiamen, Fujian 361005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, The State Key Laboratory for Physical Chemistry of Solid Surfaces, and Institute of Physical Chemistry, Xiamen University, Xiamen, Fujian 361005, China","institution_ids":["https://openalex.org/I191208505"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5111822432","display_name":"Qianer Zhang","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I191208505","display_name":"Xiamen University","ror":"https://ror.org/00mcjh785","country_code":"CN","type":"education","lineage":["https://openalex.org/I191208505"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qianer Zhang","raw_affiliation_strings":["Department of Chemistry, The State Key Laboratory for Physical Chemistry of Solid Surfaces, and Institute of Physical Chemistry, Xiamen University, Xiamen, Fujian 361005, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, The State Key Laboratory for Physical Chemistry of Solid Surfaces, and Institute of Physical Chemistry, Xiamen University, Xiamen, Fujian 361005, China","institution_ids":["https://openalex.org/I191208505"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I191208505"],"apc_list":null,"apc_paid":null,"fwci":12.0374,"has_fulltext":false,"cited_by_count":40,"citation_normalized_percentile":{"value":0.9906639,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":null,"issue":null,"first_page":"143","last_page":"185"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9829000234603882,"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":0.9829000234603882,"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":0.006800000090152025,"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/T13253","display_name":"Chemical Reactions and Mechanisms","score":0.0007999999797903001,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/valence-bond-theory","display_name":"valence bond theory","score":0.8889999985694885},{"id":"https://openalex.org/keywords/electron-correlation","display_name":"electron correlation","score":0.621999979019165},{"id":"https://openalex.org/keywords/quantum-chemical-methods","display_name":"quantum chemical methods","score":0.3400000035762787}],"concepts":[{"id":"https://openalex.org/C178429038","wikidata":"https://www.wikidata.org/wiki/Q517973","display_name":"Valence bond theory","level":4,"score":0.78296959400177},{"id":"https://openalex.org/C105538167","wikidata":"https://www.wikidata.org/wiki/Q6889087","display_name":"Modern valence bond theory","level":5,"score":0.7756646871566772},{"id":"https://openalex.org/C156804444","wikidata":"https://www.wikidata.org/wiki/Q5532521","display_name":"Generalized valence bond","level":5,"score":0.6274401545524597},{"id":"https://openalex.org/C168900304","wikidata":"https://www.wikidata.org/wiki/Q171407","display_name":"Valence (chemistry)","level":2,"score":0.5978724956512451},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4084228575229645},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.37080106139183044},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3608688414096832},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3237220048904419},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3225347399711609},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.2124655842781067},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.046045541763305664},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/s1380-7323(02)80007-3","doi":"https://doi.org/10.1016/s1380-7323(02)80007-3","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s1380-7323(02)80007-3","pdf_url":null,"source":{"id":"https://openalex.org/S199924676","display_name":"Theoretical and computational chemistry","issn_l":"1380-7323","issn":["1380-7323","2212-1617"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","poland-20","russia-white-list-4"],"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":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Theoretical and Computational Chemistry","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320332377","display_name":"Goddard Space Flight Center","ror":"https://ror.org/0171mag52"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":68,"referenced_works":["https://openalex.org/W63503520","https://openalex.org/W625378497","https://openalex.org/W1607286065","https://openalex.org/W1610915999","https://openalex.org/W1629157714","https://openalex.org/W1673689640","https://openalex.org/W1911689813","https://openalex.org/W1963655963","https://openalex.org/W1975160218","https://openalex.org/W1979016352","https://openalex.org/W1993999000","https://openalex.org/W1994932509","https://openalex.org/W1997823913","https://openalex.org/W2005688071","https://openalex.org/W2008345487","https://openalex.org/W2009330698","https://openalex.org/W2016555809","https://openalex.org/W2016871614","https://openalex.org/W2018070595","https://openalex.org/W2021151267","https://openalex.org/W2022330656","https://openalex.org/W2022950330","https://openalex.org/W2023440419","https://openalex.org/W2024541009","https://openalex.org/W2026491145","https://openalex.org/W2028473552","https://openalex.org/W2031850965","https://openalex.org/W2034076653","https://openalex.org/W2041213082","https://openalex.org/W2041902442","https://openalex.org/W2045164306","https://openalex.org/W2046157418","https://openalex.org/W2046729271","https://openalex.org/W2048898356","https://openalex.org/W2049801788","https://openalex.org/W2051256119","https://openalex.org/W2055649238","https://openalex.org/W2061340462","https://openalex.org/W2065655440","https://openalex.org/W2070160279","https://openalex.org/W2077658674","https://openalex.org/W2078978470","https://openalex.org/W2079784972","https://openalex.org/W2082450825","https://openalex.org/W2083456180","https://openalex.org/W2084579158","https://openalex.org/W2084753888","https://openalex.org/W2086786922","https://openalex.org/W2087494549","https://openalex.org/W2093267396","https://openalex.org/W2102284032","https://openalex.org/W2106478879","https://openalex.org/W2120797232","https://openalex.org/W2122326562","https://openalex.org/W2132334029","https://openalex.org/W2143380254","https://openalex.org/W2156428107","https://openalex.org/W2909883967","https://openalex.org/W2950102517","https://openalex.org/W2951710757","https://openalex.org/W2952198191","https://openalex.org/W3005129016","https://openalex.org/W3181590728","https://openalex.org/W4212997115","https://openalex.org/W4234347480","https://openalex.org/W4238862804","https://openalex.org/W4243477309","https://openalex.org/W4255725871"],"related_works":["https://openalex.org/W2483730415","https://openalex.org/W2055649238","https://openalex.org/W2952198191","https://openalex.org/W4245273611","https://openalex.org/W2247126876","https://openalex.org/W4256124486","https://openalex.org/W2340264537","https://openalex.org/W2989463642","https://openalex.org/W2498173718","https://openalex.org/W2284195720"],"abstract_inverted_index":null,"counts_by_year":[{"year":2021,"cited_by_count":3},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":2}],"updated_date":"2026-10-10T09:11:00.788812","created_date":"2019-01-11T00:00:00"}