{"id":"https://openalex.org/W2077877540","doi":"https://doi.org/10.1007/s10822-011-9534-x","title":"An improved theoretical approach to the empirical corrections of density functional theory","display_name":"An improved theoretical approach to the empirical corrections of density functional theory","publication_year":2011,"publication_date":"2011-12-23","ids":{"openalex":"https://openalex.org/W2077877540","doi":"https://doi.org/10.1007/s10822-011-9534-x","mag":"2077877540","pmid":"https://pubmed.ncbi.nlm.nih.gov/22198476"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-011-9534-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-011-9534-x","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5110151843","display_name":"Jenn Huei Lii","orcid":null},"institutions":[{"id":"https://openalex.org/I70522481","display_name":"National Changhua University of Education","ror":"https://ror.org/005gkfa10","country_code":"TW","type":"education","lineage":["https://openalex.org/I70522481"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Jenn-Huei Lii","raw_affiliation_strings":["Department of Chemistry, National Changhua University of Education, Changhua, Taiwan","Department of Chemistry, National Changhua University of Education, Changhua -, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, National Changhua University of Education, Changhua, Taiwan","institution_ids":["https://openalex.org/I70522481"]},{"raw_affiliation_string":"Department of Chemistry, National Changhua University of Education, Changhua -, Taiwan","institution_ids":["https://openalex.org/I70522481"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075504894","display_name":"Ching\u2010Han Hu","orcid":"https://orcid.org/0000-0002-7427-8174"},"institutions":[{"id":"https://openalex.org/I70522481","display_name":"National Changhua University of Education","ror":"https://ror.org/005gkfa10","country_code":"TW","type":"education","lineage":["https://openalex.org/I70522481"]}],"countries":["TW"],"is_corresponding":true,"raw_author_name":"Ching-Han Hu","raw_affiliation_strings":["Department of Chemistry, National Changhua University of Education, Changhua, 50058, Taiwan","Department of Chemistry, National Changhua University of Education, Changhua -, Taiwan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, National Changhua University of Education, Changhua, 50058, Taiwan","institution_ids":["https://openalex.org/I70522481"]},{"raw_affiliation_string":"Department of Chemistry, National Changhua University of Education, Changhua -, Taiwan","institution_ids":["https://openalex.org/I70522481"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5075504894"],"corresponding_institution_ids":["https://openalex.org/I70522481"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.2201,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.58646556,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"26","issue":"2","first_page":"199","last_page":"213"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9958000183105469,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9958000183105469,"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/T12748","display_name":"Molecular spectroscopy and chirality","score":0.9957000017166138,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9937999844551086,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.7364864349365234},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6615315675735474},{"id":"https://openalex.org/keywords/isomerization","display_name":"Isomerization","score":0.6488466858863831},{"id":"https://openalex.org/keywords/basis-set","display_name":"Basis set","score":0.593413233757019},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.560634195804596},{"id":"https://openalex.org/keywords/dispersion","display_name":"Dispersion (optics)","score":0.4423687756061554},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.4219376742839813},{"id":"https://openalex.org/keywords/alkane","display_name":"Alkane","score":0.42147067189216614},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.1449204981327057},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.12474548816680908},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.09691193699836731},{"id":"https://openalex.org/keywords/hydrocarbon","display_name":"Hydrocarbon","score":0.09414798021316528}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7364864349365234},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6615315675735474},{"id":"https://openalex.org/C126661725","wikidata":"https://www.wikidata.org/wiki/Q903420","display_name":"Isomerization","level":3,"score":0.6488466858863831},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.593413233757019},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.560634195804596},{"id":"https://openalex.org/C177562468","wikidata":"https://www.wikidata.org/wiki/Q182893","display_name":"Dispersion (optics)","level":2,"score":0.4423687756061554},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4219376742839813},{"id":"https://openalex.org/C2781327020","wikidata":"https://www.wikidata.org/wiki/Q41581","display_name":"Alkane","level":3,"score":0.42147067189216614},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1449204981327057},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.12474548816680908},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09691193699836731},{"id":"https://openalex.org/C2777207669","wikidata":"https://www.wikidata.org/wiki/Q43648","display_name":"Hydrocarbon","level":2,"score":0.09414798021316528},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000438","descriptor_name":"Alcohols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000438","descriptor_name":"Alcohols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000438","descriptor_name":"Alcohols","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000473","descriptor_name":"Alkanes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000473","descriptor_name":"Alkanes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000473","descriptor_name":"Alkanes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002475","descriptor_name":"Cellobiose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002475","descriptor_name":"Cellobiose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002475","descriptor_name":"Cellobiose","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004986","descriptor_name":"Ether","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004986","descriptor_name":"Ether","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004986","descriptor_name":"Ether","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007536","descriptor_name":"Isomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007536","descriptor_name":"Isomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007536","descriptor_name":"Isomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-011-9534-x","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-011-9534-x","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:22198476","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22198476","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321040","display_name":"National Science Council","ror":"https://ror.org/02kv4zf79"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":54,"referenced_works":["https://openalex.org/W1966929704","https://openalex.org/W1967037562","https://openalex.org/W1967411343","https://openalex.org/W1968806724","https://openalex.org/W1970838770","https://openalex.org/W1983656816","https://openalex.org/W1987357677","https://openalex.org/W1990277472","https://openalex.org/W1993831022","https://openalex.org/W1997502779","https://openalex.org/W1998725642","https://openalex.org/W2013111201","https://openalex.org/W2016109975","https://openalex.org/W2016861654","https://openalex.org/W2017488631","https://openalex.org/W2019558303","https://openalex.org/W2023271753","https://openalex.org/W2023549362","https://openalex.org/W2028103027","https://openalex.org/W2030841140","https://openalex.org/W2031200077","https://openalex.org/W2031596719","https://openalex.org/W2037566894","https://openalex.org/W2040195084","https://openalex.org/W2044591029","https://openalex.org/W2044682512","https://openalex.org/W2050480585","https://openalex.org/W2051707493","https://openalex.org/W2053394963","https://openalex.org/W2057715237","https://openalex.org/W2063094389","https://openalex.org/W2063589866","https://openalex.org/W2063634676","https://openalex.org/W2072754743","https://openalex.org/W2075730114","https://openalex.org/W2077277026","https://openalex.org/W2084284754","https://openalex.org/W2089047713","https://openalex.org/W2090669391","https://openalex.org/W2092157292","https://openalex.org/W2095100262","https://openalex.org/W2103176800","https://openalex.org/W2112850441","https://openalex.org/W2123385505","https://openalex.org/W2130783395","https://openalex.org/W2140886907","https://openalex.org/W2143981217","https://openalex.org/W2155430111","https://openalex.org/W2155557654","https://openalex.org/W2157883438","https://openalex.org/W2324454895","https://openalex.org/W2331828469","https://openalex.org/W2951669052","https://openalex.org/W4301944595"],"related_works":["https://openalex.org/W4211236159","https://openalex.org/W2322302740","https://openalex.org/W2366487365","https://openalex.org/W2365620266","https://openalex.org/W2527386303","https://openalex.org/W3000247888","https://openalex.org/W2068955409","https://openalex.org/W2319626737","https://openalex.org/W2188489321","https://openalex.org/W2016562941"],"abstract_inverted_index":null,"counts_by_year":[{"year":2019,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-06-16T07:32:37.131356","created_date":"2025-10-10T00:00:00"}