{"id":"https://openalex.org/W2036646229","doi":"https://doi.org/10.1016/0097-8485(89)80001-4","title":"Malleable software for ab-initio quantum chemistry","display_name":"Malleable software for ab-initio quantum chemistry","publication_year":1989,"publication_date":"1989-01-01","ids":{"openalex":"https://openalex.org/W2036646229","doi":"https://doi.org/10.1016/0097-8485(89)80001-4","mag":"2036646229"},"language":"en","primary_location":{"id":"doi:10.1016/0097-8485(89)80001-4","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(89)80001-4","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","raw_type":"journal-article"},"type":"article","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/A5016519424","display_name":"Carlos F. Bunge","orcid":"https://orcid.org/0000-0003-2087-9051"},"institutions":[{"id":"https://openalex.org/I8961855","display_name":"Universidad Nacional Aut\u00f3noma de M\u00e9xico","ror":"https://ror.org/01tmp8f25","country_code":"MX","type":"education","lineage":["https://openalex.org/I8961855"]}],"countries":["MX"],"is_corresponding":true,"raw_author_name":"Carlos F. Bunge","raw_affiliation_strings":["Instituto de F\u00edsica, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Apartado Postal 20-364, 01000 M\u00e9xico D.F., M\u00e9xico","Instituto de F\u00edsica, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Apartado Postal 20\u2010364, 01000 Mexico D.F., Mexico"],"affiliations":[{"raw_affiliation_string":"Instituto de F\u00edsica, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Apartado Postal 20-364, 01000 M\u00e9xico D.F., M\u00e9xico","institution_ids":["https://openalex.org/I8961855"]},{"raw_affiliation_string":"Instituto de F\u00edsica, Universidad Nacional Aut\u00f3noma de M\u00e9xico, Apartado Postal 20\u2010364, 01000 Mexico D.F., Mexico","institution_ids":["https://openalex.org/I8961855"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5016519424"],"corresponding_institution_ids":["https://openalex.org/I8961855"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.12627512,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"13","issue":"2","first_page":"105","last_page":"110"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13297","display_name":"History and advancements in chemistry","score":0.9351999759674072,"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":0.9351999759674072,"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/notation","display_name":"Notation","score":0.7005472183227539},{"id":"https://openalex.org/keywords/documentation","display_name":"Documentation","score":0.6824999451637268},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.6282644271850586},{"id":"https://openalex.org/keywords/hierarchy","display_name":"Hierarchy","score":0.6062592267990112},{"id":"https://openalex.org/keywords/eigenfunction","display_name":"Eigenfunction","score":0.5795038342475891},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.5688656568527222},{"id":"https://openalex.org/keywords/quantum-chemistry","display_name":"Quantum chemistry","score":0.5027439594268799},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.49787473678588867},{"id":"https://openalex.org/keywords/theoretical-physics","display_name":"Theoretical physics","score":0.48294347524642944},{"id":"https://openalex.org/keywords/symmetry","display_name":"Symmetry (geometry)","score":0.46064287424087524},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.35566583275794983},{"id":"https://openalex.org/keywords/algebra-over-a-field","display_name":"Algebra over a field","score":0.3302610516548157},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.31961995363235474},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3174246549606323},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.19833970069885254},{"id":"https://openalex.org/keywords/pure-mathematics","display_name":"Pure mathematics","score":0.17791283130645752},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.16753152012825012},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.12081724405288696},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.10407200455665588},{"id":"https://openalex.org/keywords/arithmetic","display_name":"Arithmetic","score":0.07640713453292847}],"concepts":[{"id":"https://openalex.org/C45357846","wikidata":"https://www.wikidata.org/wiki/Q2001982","display_name":"Notation","level":2,"score":0.7005472183227539},{"id":"https://openalex.org/C56666940","wikidata":"https://www.wikidata.org/wiki/Q788790","display_name":"Documentation","level":2,"score":0.6824999451637268},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.6282644271850586},{"id":"https://openalex.org/C31170391","wikidata":"https://www.wikidata.org/wiki/Q188619","display_name":"Hierarchy","level":2,"score":0.6062592267990112},{"id":"https://openalex.org/C128803854","wikidata":"https://www.wikidata.org/wiki/Q1307821","display_name":"Eigenfunction","level":3,"score":0.5795038342475891},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5688656568527222},{"id":"https://openalex.org/C22994065","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemistry","level":4,"score":0.5027439594268799},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.49787473678588867},{"id":"https://openalex.org/C33332235","wikidata":"https://www.wikidata.org/wiki/Q18362","display_name":"Theoretical physics","level":1,"score":0.48294347524642944},{"id":"https://openalex.org/C2779886137","wikidata":"https://www.wikidata.org/wiki/Q21030012","display_name":"Symmetry (geometry)","level":2,"score":0.46064287424087524},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.35566583275794983},{"id":"https://openalex.org/C136119220","wikidata":"https://www.wikidata.org/wiki/Q1000660","display_name":"Algebra over a field","level":2,"score":0.3302610516548157},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.31961995363235474},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3174246549606323},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.19833970069885254},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.17791283130645752},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.16753152012825012},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.12081724405288696},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.10407200455665588},{"id":"https://openalex.org/C94375191","wikidata":"https://www.wikidata.org/wiki/Q11205","display_name":"Arithmetic","level":1,"score":0.07640713453292847},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.0},{"id":"https://openalex.org/C34447519","wikidata":"https://www.wikidata.org/wiki/Q179522","display_name":"Market economy","level":1,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C158693339","wikidata":"https://www.wikidata.org/wiki/Q190524","display_name":"Eigenvalues and eigenvectors","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/0097-8485(89)80001-4","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(89)80001-4","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Decent work and economic growth","id":"https://metadata.un.org/sdg/8","score":0.550000011920929}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":9,"referenced_works":["https://openalex.org/W1164220824","https://openalex.org/W1998594609","https://openalex.org/W2000981257","https://openalex.org/W2010540726","https://openalex.org/W2044689218","https://openalex.org/W2052348582","https://openalex.org/W2062048943","https://openalex.org/W2166788079","https://openalex.org/W2283007502"],"related_works":["https://openalex.org/W2245403906","https://openalex.org/W4286382504","https://openalex.org/W2393344178","https://openalex.org/W2495930062","https://openalex.org/W2057370678","https://openalex.org/W4206553170","https://openalex.org/W3120985700","https://openalex.org/W2379751293","https://openalex.org/W2244600477","https://openalex.org/W4247999527"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}