{"id":"https://openalex.org/W2072205083","doi":"https://doi.org/10.1016/s0009-2614(99)00587-4","title":"Assessment of the importance of the solvent in the calculation of condensed Fukui function: a self-consistent reaction field calculation study","display_name":"Assessment of the importance of the solvent in the calculation of condensed Fukui function: a self-consistent reaction field calculation study","publication_year":1999,"publication_date":"1999-07-01","ids":{"openalex":"https://openalex.org/W2072205083","doi":"https://doi.org/10.1016/s0009-2614(99)00587-4","mag":"2072205083"},"language":"en","primary_location":{"id":"doi:10.1016/s0009-2614(99)00587-4","doi":"https://doi.org/10.1016/s0009-2614(99)00587-4","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0009-2614(99)00587-4","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics Letters","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5083773448","display_name":"D. Sivanesan","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I112576028","display_name":"Central Leather Research Institute","ror":"https://ror.org/02kp7p620","country_code":"IN","type":"facility","lineage":["https://openalex.org/I112576028","https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"D. Sivanesan","raw_affiliation_strings":["Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India","institution_ids":["https://openalex.org/I112576028"]}]},{"author_position":"middle","author":{"id":null,"display_name":"R. Amutha","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I112576028","display_name":"Central Leather Research Institute","ror":"https://ror.org/02kp7p620","country_code":"IN","type":"facility","lineage":["https://openalex.org/I112576028","https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"R. Amutha","raw_affiliation_strings":["Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India","institution_ids":["https://openalex.org/I112576028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064261512","display_name":"V. Subramanian","orcid":"https://orcid.org/0000-0003-2463-545X","observed_orcids":["https://orcid.org/0000-0003-2463-545X"]},"institutions":[{"id":"https://openalex.org/I112576028","display_name":"Central Leather Research Institute","ror":"https://ror.org/02kp7p620","country_code":"IN","type":"facility","lineage":["https://openalex.org/I112576028","https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"V. Subramanian","raw_affiliation_strings":["Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India","institution_ids":["https://openalex.org/I112576028"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045034814","display_name":"Balachandran Unni Nair","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I112576028","display_name":"Central Leather Research Institute","ror":"https://ror.org/02kp7p620","country_code":"IN","type":"facility","lineage":["https://openalex.org/I112576028","https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"B.U. Nair","raw_affiliation_strings":["Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India","institution_ids":["https://openalex.org/I112576028"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078608128","display_name":"Thirumalachari Ramasami","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I112576028","display_name":"Central Leather Research Institute","ror":"https://ror.org/02kp7p620","country_code":"IN","type":"facility","lineage":["https://openalex.org/I112576028","https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"T. Ramasami","raw_affiliation_strings":["Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600020, India","institution_ids":["https://openalex.org/I112576028"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5064261512"],"corresponding_institution_ids":["https://openalex.org/I112576028"],"apc_list":{"value":3270,"currency":"USD","value_usd":3270},"apc_paid":null,"fwci":1.0656,"has_fulltext":false,"cited_by_count":28,"citation_normalized_percentile":{"value":0.72623209,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":96},"biblio":{"volume":"308","issue":"3-4","first_page":"223","last_page":"228"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9945999979972839,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9945999979972839,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.0017000000225380063,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12191","display_name":"Physical Organic Chemistry and Reaction Kinetics","score":0.0010000000474974513,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/condensed-fukui-function","display_name":"condensed Fukui function","score":1.0},{"id":"https://openalex.org/keywords/solvent-effects","display_name":"solvent effects","score":0.9700000286102295},{"id":"https://openalex.org/keywords/self-consistent-reaction-field","display_name":"self-consistent reaction field","score":0.9629999995231628},{"id":"https://openalex.org/keywords/reactivity-descriptors","display_name":"reactivity descriptors","score":0.7570000290870667},{"id":"https://openalex.org/keywords/qsar","display_name":"QSAR","score":0.8790000081062317},{"id":"https://openalex.org/keywords/molecular-electrostatic-potential","display_name":"molecular electrostatic potential","score":0.7369999885559082},{"id":"https://openalex.org/keywords/hartree-fock-theory","display_name":"Hartree-Fock theory","score":0.7319999933242798}],"concepts":[{"id":"https://openalex.org/C2776959261","wikidata":"https://www.wikidata.org/wiki/Q5507650","display_name":"Fukui function","level":4,"score":0.9031445980072021},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.7391602993011475},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7220187187194824},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.6605759859085083},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.589250385761261},{"id":"https://openalex.org/C132439834","wikidata":"https://www.wikidata.org/wiki/Q7559035","display_name":"Solvent effects","level":3,"score":0.5034965872764587},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.4777071475982666},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4715074598789215},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.45978620648384094},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3816898763179779},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3341265320777893},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.16851189732551575},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.04983857274055481},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C204787440","wikidata":"https://www.wikidata.org/wiki/Q188504","display_name":"Alternative medicine","level":2,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","level":1,"score":0.0},{"id":"https://openalex.org/C50027330","wikidata":"https://www.wikidata.org/wiki/Q908086","display_name":"Electrophile","level":3,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/s0009-2614(99)00587-4","doi":"https://doi.org/10.1016/s0009-2614(99)00587-4","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0009-2614(99)00587-4","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Chemical Physics Letters","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":24,"referenced_works":["https://openalex.org/W1550061415","https://openalex.org/W1979487364","https://openalex.org/W1985094967","https://openalex.org/W2001728860","https://openalex.org/W2002030672","https://openalex.org/W2005877813","https://openalex.org/W2009458392","https://openalex.org/W2016660168","https://openalex.org/W2028459232","https://openalex.org/W2028781077","https://openalex.org/W2036503595","https://openalex.org/W2038168985","https://openalex.org/W2044202126","https://openalex.org/W2047937197","https://openalex.org/W2051682290","https://openalex.org/W2051767505","https://openalex.org/W2063124680","https://openalex.org/W2065845767","https://openalex.org/W2093627190","https://openalex.org/W2095394805","https://openalex.org/W2326203395","https://openalex.org/W4231174424","https://openalex.org/W4238467307","https://openalex.org/W4251444688"],"related_works":["https://openalex.org/W2029277126","https://openalex.org/W2042894184","https://openalex.org/W2165808889","https://openalex.org/W1971795979","https://openalex.org/W2117202382","https://openalex.org/W250713289","https://openalex.org/W2075275155","https://openalex.org/W2082961900","https://openalex.org/W2006403673","https://openalex.org/W1964224508"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":3},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1}],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}
