{"doi":"10.1098/rspa.1954.0200","title":"The molecular orbital theory of chemical valency - XVIII. Localized orbitals in conjugated molecules","abstract":"<jats:title>Abstract</jats:title>\n                  <jats:p>When the molecular orbital wave function is taken as a single determinant it is not possible to construct localized orbitals for the mobile electrons by transforming the occupied orbitals. Here localized orbitals are introduced without approximation by combining molecular and virtual orbitals in a single transformation. The new forms of the orbital equations are discussed and shown to be formally identical with the original Hiickel approximation. The method is not restricted to π orbitals.</jats:p>","journal":"Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences","year":1954,"id":44031,"datarank":0.12655350808274637,"base_score":0.6931471805599453,"endowment":0.6931471805599453,"self_citation_contribution":0.10397207708399181,"citation_network_contribution":0.02258143099875457,"self_endowment_contribution":0.10397207708399181,"citer_contribution":0.02258143099875457,"corpus_percentile":null,"corpus_rank":null,"citation_count":1,"citer_count":1,"citers_with_citation_signal":1,"citers_with_endowment":1,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":208020,"name":"P. P. Manning","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"base_score":0.6931471805599453,"endowment":0.6931471805599453,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"20810602","pmcid":null,"openalex_id":"https://openalex.org/W2050616567","authors":[],"funders":[],"total_grants":0,"fwci":0.0,"citation_percentile":0.1539123,"influential_citations":0,"citation_trend":[],"oa_status":"closed","license":"https://royalsociety.org/journals/ethics-policies/data-sharing-mining/","oa_locations":[{"url":"https://royalsocietypublishing.org/doi/pdf/10.1098/rspa.1954.0200","host_type":"publisher"},{"url":"https://royalsocietypublishing.org/rspa/article-pdf/225/1161/244/48464/rspa.1954.0200.pdf","host_type":"publisher"},{"url":"https://doi.org/10.1098/rspa.1954.0200","host_type":"journal"}],"fields_of_study":["Molecular Junctions and Nanostructures","Magnetism in coordination complexes","Various Chemistry Research Topics","Chemistry"],"mesh_terms":[],"keywords":["Molecular orbital theory","Molecular orbital","Slater-type orbital","Molecular orbital diagram","Localized molecular orbitals","Valency","Linear combination of atomic orbitals","Complete active space","Non-bonding orbital","Atomic orbital","Valence bond theory","Physics","Basis set","Molecular physics","Chemistry","Atomic physics","Quantum mechanics","Electron","Molecule"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-06-15T05:27:04.077646Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}