{"id":"https://openalex.org/W4244129052","doi":"https://doi.org/10.1007/978-3-642-02788-8_8","title":"Computational Chemistry","display_name":"Computational Chemistry","publication_year":2009,"publication_date":"2009-01-01","ids":{"openalex":"https://openalex.org/W4244129052","doi":"https://doi.org/10.1007/978-3-642-02788-8_8"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-642-02788-8_8","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-642-02788-8_8","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Data Mining and Knowledge Discovery","raw_type":"book-chapter"},"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/A5055032206","display_name":"Hassan Safouhi","orcid":"https://orcid.org/0000-0002-6413-0854"},"institutions":[{"id":"https://openalex.org/I154425047","display_name":"University of Alberta","ror":"https://ror.org/0160cpw27","country_code":"CA","type":"education","lineage":["https://openalex.org/I154425047"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Hassan Safouhi","raw_affiliation_strings":["Campus Saint-Jean, University of Alberta, 8406, 91 Street, AB, Edmonton, T6C 4G9, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Campus Saint-Jean, University of Alberta, 8406, 91 Street, AB, Edmonton, T6C 4G9, Canada","institution_ids":["https://openalex.org/I154425047"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5006734442","display_name":"Ahmed Boufergu\u00e8ne","orcid":"https://orcid.org/0000-0003-4629-6620"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ahmed Bouferguene","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":6.9375,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.97370398,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":null,"issue":null,"first_page":"173","last_page":"206"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13297","display_name":"History and advancements in chemistry","score":0.9700999855995178,"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"}},"topics":[{"id":"https://openalex.org/T13297","display_name":"History and advancements in chemistry","score":0.9700999855995178,"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/T12852","display_name":"Chemical Thermodynamics and Molecular Structure","score":0.955299973487854,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.9085000157356262,"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/linear-combination-of-atomic-orbitals","display_name":"Linear combination of atomic orbitals","score":0.8413734436035156},{"id":"https://openalex.org/keywords/slater-type-orbital","display_name":"Slater-type orbital","score":0.7490534782409668},{"id":"https://openalex.org/keywords/molecular-orbital","display_name":"Molecular orbital","score":0.6662873029708862},{"id":"https://openalex.org/keywords/sto-ng-basis-sets","display_name":"STO-nG basis sets","score":0.6281517148017883},{"id":"https://openalex.org/keywords/atomic-orbital","display_name":"Atomic orbital","score":0.5504868030548096},{"id":"https://openalex.org/keywords/molecular-orbital-theory","display_name":"Molecular orbital theory","score":0.5205503702163696},{"id":"https://openalex.org/keywords/cubic-harmonic","display_name":"Cubic harmonic","score":0.4756626486778259},{"id":"https://openalex.org/keywords/fragment-molecular-orbital","display_name":"Fragment molecular orbital","score":0.46281397342681885},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.45776820182800293},{"id":"https://openalex.org/keywords/basis-set","display_name":"Basis set","score":0.44533848762512207},{"id":"https://openalex.org/keywords/basis","display_name":"Basis (linear algebra)","score":0.42984744906425476},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.4279761016368866},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.41370153427124023},{"id":"https://openalex.org/keywords/basis-function","display_name":"Basis function","score":0.4128043055534363},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3748601973056793},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.36529770493507385},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3022768497467041},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.2656121551990509},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.177626371383667},{"id":"https://openalex.org/keywords/electron","display_name":"Electron","score":0.17204657196998596},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.16239053010940552},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.12107178568840027},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.11434146761894226}],"concepts":[{"id":"https://openalex.org/C53848692","wikidata":"https://www.wikidata.org/wiki/Q900666","display_name":"Linear combination of atomic orbitals","level":4,"score":0.8413734436035156},{"id":"https://openalex.org/C80062241","wikidata":"https://www.wikidata.org/wiki/Q904125","display_name":"Slater-type orbital","level":5,"score":0.7490534782409668},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.6662873029708862},{"id":"https://openalex.org/C150279259","wikidata":"https://www.wikidata.org/wiki/Q2886427","display_name":"STO-nG basis sets","level":5,"score":0.6281517148017883},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.5504868030548096},{"id":"https://openalex.org/C193772553","wikidata":"https://www.wikidata.org/wiki/Q898432","display_name":"Molecular orbital theory","level":4,"score":0.5205503702163696},{"id":"https://openalex.org/C50992991","wikidata":"https://www.wikidata.org/wiki/Q5192247","display_name":"Cubic harmonic","level":5,"score":0.4756626486778259},{"id":"https://openalex.org/C105302883","wikidata":"https://www.wikidata.org/wiki/Q5477685","display_name":"Fragment molecular orbital","level":4,"score":0.46281397342681885},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.45776820182800293},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.44533848762512207},{"id":"https://openalex.org/C12426560","wikidata":"https://www.wikidata.org/wiki/Q189569","display_name":"Basis (linear algebra)","level":2,"score":0.42984744906425476},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.4279761016368866},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.41370153427124023},{"id":"https://openalex.org/C5917680","wikidata":"https://www.wikidata.org/wiki/Q2621825","display_name":"Basis function","level":2,"score":0.4128043055534363},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3748601973056793},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.36529770493507385},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3022768497467041},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2656121551990509},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.177626371383667},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.17204657196998596},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.16239053010940552},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.12107178568840027},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.11434146761894226}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-642-02788-8_8","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-642-02788-8_8","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Data Mining and Knowledge Discovery","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2016405827","https://openalex.org/W4386782573","https://openalex.org/W2006787354","https://openalex.org/W2135739713","https://openalex.org/W2081533302","https://openalex.org/W2017618268","https://openalex.org/W4245636024","https://openalex.org/W2128510192","https://openalex.org/W25127989","https://openalex.org/W2577966350"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
