{"doi":"10.1139/v82-294","title":"A rapid semiquantitative approach to the calculation of net group charge (q)","abstract":"<jats:p> Huheey's approach to the calculation of partial charges on groups is extended and some group electronegativity parameters modified. The modified form of Huheey's method is shown to provide rapid access to net group charges (population numbers) in cations, radicals, anions, and sulfur trigonal bipyramids. Results obtained by substituent electronegativity calculations are shown to be comparable to those obtained by abinitio calculations. </jats:p>","journal":"Canadian Journal of Chemistry","year":1982,"id":42387,"datarank":0.5896998554707195,"base_score":1.9459101490553132,"endowment":1.9459101490553132,"self_citation_contribution":0.29188652235829704,"citation_network_contribution":0.2978133331124224,"self_endowment_contribution":0.29188652235829704,"citer_contribution":0.2978133331124224,"corpus_percentile":null,"corpus_rank":null,"citation_count":6,"citer_count":6,"citers_with_citation_signal":6,"citers_with_endowment":6,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":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":202983,"name":"Richard Francis Langler","orcid":null,"position":1,"is_corresponding":false},{"id":202984,"name":"John Atlee MacGregor","orcid":null,"position":2,"is_corresponding":false},{"id":202982,"name":"Warren Kenneth Jardine","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"base_score":1.9459101490553132,"endowment":1.9459101490553132,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"18998881","pmcid":null,"openalex_id":"https://openalex.org/W2126835114","authors":[],"funders":[],"total_grants":0,"fwci":0.0,"citation_percentile":0.17210017,"influential_citations":0,"citation_trend":[],"oa_status":"closed","license":"http://www.nrcresearchpress.com/page/about/CorporateTextAndDataMining","oa_locations":[{"url":"http://www.nrcresearchpress.com/doi/pdf/10.1139/v82-294","host_type":"BRONZE"},{"url":"https://cdnsciencepub.com/doi/pdf/10.1139/v82-294","host_type":"publisher"},{"url":"https://doi.org/10.1139/v82-294","host_type":"journal"}],"fields_of_study":["Advanced Chemical Physics Studies","Molecular Junctions and Nanostructures","Inorganic and Organometallic Chemistry","Chemistry"],"mesh_terms":[],"keywords":["Electronegativity","Chemistry","Substituent","Group (periodic table)","Charge (physics)","Trigonal crystal system","Atomic charge","Partial charge","Computational chemistry","Sulfur","Crystallography","Physical chemistry","Stereochemistry","Crystal structure","Molecule","Organic chemistry","Quantum mechanics"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-06-14T02:40:34.821183Z","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":[]}