{"id":"https://openalex.org/W1998090982","doi":"https://doi.org/10.1021/jp065580m","title":"The Influence of Electric Field on the Global and Local Reactivity Descriptors: Reactivity and Stability of Weakly Bonded Complexes","display_name":"The Influence of Electric Field on the Global and Local Reactivity Descriptors: Reactivity and Stability of Weakly Bonded Complexes","publication_year":2006,"publication_date":"2006-12-20","ids":{"openalex":"https://openalex.org/W1998090982","doi":"https://doi.org/10.1021/jp065580m","mag":"1998090982","pmid":"https://pubmed.ncbi.nlm.nih.gov/17214475"},"language":"en","primary_location":{"id":"doi:10.1021/jp065580m","doi":"https://doi.org/10.1021/jp065580m","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp065580m","pdf_url":null,"source":{"id":"https://openalex.org/S146709414","display_name":"The Journal of Physical Chemistry A","issn_l":"1089-5639","issn":["1089-5639","1520-5215"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry A","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5083893289","display_name":"Rahul Kar","orcid":"https://orcid.org/0000-0002-1629-5689","observed_orcids":["https://orcid.org/0000-0002-1629-5689"]},"institutions":[{"id":"https://openalex.org/I1329621470","display_name":"Bhabha Atomic Research Centre","ror":"https://ror.org/05w6wfp17","country_code":"IN","type":"facility","lineage":["https://openalex.org/I1329621470","https://openalex.org/I2799351866","https://openalex.org/I3149292468"]},{"id":"https://openalex.org/I3125981224","display_name":"National Chemical Laboratory","ror":"https://ror.org/057mn3690","country_code":"IN","type":"facility","lineage":["https://openalex.org/I2799351866","https://openalex.org/I3125981224","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Rahul Kar","raw_affiliation_strings":["Theoretical Chemistry Group, Physical Chemistry Division, National Chemical Laboratory, Pune 400 008, India, Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Theoretical Chemistry Group, Physical Chemistry Division, National Chemical Laboratory, Pune 400 008, India, Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085, India","institution_ids":["https://openalex.org/I1329621470","https://openalex.org/I3125981224"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091148162","display_name":"Kuttay R. S. Chandrakumar","orcid":"https://orcid.org/0000-0002-0121-3556","observed_orcids":["https://orcid.org/0000-0002-0121-3556"]},"institutions":[{"id":"https://openalex.org/I1329621470","display_name":"Bhabha Atomic Research Centre","ror":"https://ror.org/05w6wfp17","country_code":"IN","type":"facility","lineage":["https://openalex.org/I1329621470","https://openalex.org/I2799351866","https://openalex.org/I3149292468"]},{"id":"https://openalex.org/I3125981224","display_name":"National Chemical Laboratory","ror":"https://ror.org/057mn3690","country_code":"IN","type":"facility","lineage":["https://openalex.org/I2799351866","https://openalex.org/I3125981224","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"K. R. S. Chandrakumar","raw_affiliation_strings":["Theoretical Chemistry Group, Physical Chemistry Division, National Chemical Laboratory, Pune 400 008, India, Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Theoretical Chemistry Group, Physical Chemistry Division, National Chemical Laboratory, Pune 400 008, India, Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085, India","institution_ids":["https://openalex.org/I1329621470","https://openalex.org/I3125981224"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101951397","display_name":"Sourav Pal","orcid":"https://orcid.org/0000-0002-4836-639X","observed_orcids":["https://orcid.org/0000-0002-4836-639X"]},"institutions":[{"id":"https://openalex.org/I1329621470","display_name":"Bhabha Atomic Research Centre","ror":"https://ror.org/05w6wfp17","country_code":"IN","type":"facility","lineage":["https://openalex.org/I1329621470","https://openalex.org/I2799351866","https://openalex.org/I3149292468"]},{"id":"https://openalex.org/I3125981224","display_name":"National Chemical Laboratory","ror":"https://ror.org/057mn3690","country_code":"IN","type":"facility","lineage":["https://openalex.org/I2799351866","https://openalex.org/I3125981224","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Sourav Pal","raw_affiliation_strings":["Theoretical Chemistry Group, Physical Chemistry Division, National Chemical Laboratory, Pune 400 008, India, Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Theoretical Chemistry Group, Physical Chemistry Division, National Chemical Laboratory, Pune 400 008, India, Theoretical Chemistry Section, Chemistry Group, Bhabha Atomic Research Centre, Mumbai 400 085, India","institution_ids":["https://openalex.org/I1329621470","https://openalex.org/I3125981224"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5101951397"],"corresponding_institution_ids":["https://openalex.org/I1329621470","https://openalex.org/I3125981224"],"apc_list":null,"apc_paid":null,"fwci":1.2969,"has_fulltext":false,"cited_by_count":52,"citation_normalized_percentile":{"value":0.76833427,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":98},"biblio":{"volume":"111","issue":"2","first_page":"375","last_page":"383"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9872999787330627,"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":0.9872999787330627,"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/T10798","display_name":"Crystallography and molecular interactions","score":0.003700000001117587,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.002899999963119626,"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/electric-field-effects","display_name":"electric field effects","score":0.8669999837875366},{"id":"https://openalex.org/keywords/reactivity-descriptors","display_name":"reactivity descriptors","score":0.7940000295639038},{"id":"https://openalex.org/keywords/fukui-function","display_name":"Fukui function","score":0.7440000176429749},{"id":"https://openalex.org/keywords/local-softness","display_name":"local softness","score":0.8650000095367432},{"id":"https://openalex.org/keywords/chemical-potential","display_name":"chemical potential","score":0.8399999737739563},{"id":"https://openalex.org/keywords/hardness-and-softness","display_name":"hardness and softness","score":0.8299999833106995},{"id":"https://openalex.org/keywords/interaction-energy","display_name":"interaction energy","score":0.9150000214576721},{"id":"https://openalex.org/keywords/local-reactivity","display_name":"local reactivity","score":0.6869999766349792}],"concepts":[{"id":"https://openalex.org/C2776959261","wikidata":"https://www.wikidata.org/wiki/Q5507650","display_name":"Fukui function","level":4,"score":0.9185770153999329},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.8526263236999512},{"id":"https://openalex.org/C60799052","wikidata":"https://www.wikidata.org/wiki/Q46221","display_name":"Electric field","level":2,"score":0.7272435426712036},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.5970121622085571},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5032865405082703},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4978201389312744},{"id":"https://openalex.org/C207467116","wikidata":"https://www.wikidata.org/wiki/Q4385666","display_name":"Inverse","level":2,"score":0.4720383882522583},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.46692320704460144},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.46207502484321594},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.4486517906188965},{"id":"https://openalex.org/C84583765","wikidata":"https://www.wikidata.org/wiki/Q1868517","display_name":"Local field","level":2,"score":0.4329086244106293},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.2448274791240692},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2226485013961792},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.21930435299873352},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.13461706042289734},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10960036516189575},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.10521835088729858},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.10406246781349182},{"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/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"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/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"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/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/jp065580m","doi":"https://doi.org/10.1021/jp065580m","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp065580m","pdf_url":null,"source":{"id":"https://openalex.org/S146709414","display_name":"The Journal of Physical Chemistry A","issn_l":"1089-5639","issn":["1089-5639","1520-5215"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Physical Chemistry A","raw_type":"journal-article"},{"id":"pmid:17214475","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17214475","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,"listed_in":[],"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":"The journal of physical chemistry. A","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":92,"referenced_works":["https://openalex.org/W163387670","https://openalex.org/W207908113","https://openalex.org/W285749399","https://openalex.org/W562322163","https://openalex.org/W1822850048","https://openalex.org/W1963737263","https://openalex.org/W1966427628","https://openalex.org/W1967272619","https://openalex.org/W1967274316","https://openalex.org/W1968566633","https://openalex.org/W1971307712","https://openalex.org/W1977244052","https://openalex.org/W1977865698","https://openalex.org/W1980890129","https://openalex.org/W1981772893","https://openalex.org/W1984138335","https://openalex.org/W1984406978","https://openalex.org/W1984810835","https://openalex.org/W1985446587","https://openalex.org/W1987092934","https://openalex.org/W1990060841","https://openalex.org/W1990948959","https://openalex.org/W1992247493","https://openalex.org/W1993744998","https://openalex.org/W1995496454","https://openalex.org/W1996204577","https://openalex.org/W1997184962","https://openalex.org/W1997943043","https://openalex.org/W1999882414","https://openalex.org/W2005755561","https://openalex.org/W2008708918","https://openalex.org/W2009458392","https://openalex.org/W2016625552","https://openalex.org/W2016855788","https://openalex.org/W2022331938","https://openalex.org/W2022938311","https://openalex.org/W2022950330","https://openalex.org/W2023407191","https://openalex.org/W2024603769","https://openalex.org/W2027862062","https://openalex.org/W2028781077","https://openalex.org/W2029852594","https://openalex.org/W2030082437","https://openalex.org/W2031526239","https://openalex.org/W2031700244","https://openalex.org/W2036503595","https://openalex.org/W2038025820","https://openalex.org/W2038168985","https://openalex.org/W2042094163","https://openalex.org/W2042894184","https://openalex.org/W2044394227","https://openalex.org/W2046530772","https://openalex.org/W2050629645","https://openalex.org/W2051682290","https://openalex.org/W2059000908","https://openalex.org/W2059404117","https://openalex.org/W2060290748","https://openalex.org/W2060861092","https://openalex.org/W2061126185","https://openalex.org/W2061291218","https://openalex.org/W2062470770","https://openalex.org/W2063006506","https://openalex.org/W2064465704","https://openalex.org/W2065503785","https://openalex.org/W2066326360","https://openalex.org/W2068242529","https://openalex.org/W2072205083","https://openalex.org/W2072760390","https://openalex.org/W2076341068","https://openalex.org/W2077859623","https://openalex.org/W2078757068","https://openalex.org/W2079580633","https://openalex.org/W2080962054","https://openalex.org/W2081407458","https://openalex.org/W2081491794","https://openalex.org/W2081503207","https://openalex.org/W2083443234","https://openalex.org/W2085374444","https://openalex.org/W2086458318","https://openalex.org/W2093627190","https://openalex.org/W2101958915","https://openalex.org/W2105564187","https://openalex.org/W2108584886","https://openalex.org/W2111131814","https://openalex.org/W2135317616","https://openalex.org/W2154983699","https://openalex.org/W2320454455","https://openalex.org/W2320522546","https://openalex.org/W2331727781","https://openalex.org/W2950007752","https://openalex.org/W2953262762","https://openalex.org/W4256492703"],"related_works":["https://openalex.org/W2158090643","https://openalex.org/W2157279272","https://openalex.org/W3129413960","https://openalex.org/W3005687806","https://openalex.org/W4403865153","https://openalex.org/W2889559854","https://openalex.org/W2028244608","https://openalex.org/W2040461080","https://openalex.org/W2144649770","https://openalex.org/W2057874457"],"abstract_inverted_index":{"The":[0],"response":[1],"of":[2,22,31,45,50,58,102,106,132,142],"the":[3,20,32,40,43,48,51,55,59,70,77,84,88,100,107,111,119,122,130,140,143],"global":[4,89],"and":[5,16,91],"local":[6,17,78],"reactivity":[7,44,141],"density-based":[8],"descriptors":[9],"(chemical":[10],"potential,":[11],"hardness,":[12],"softness,":[13],"Fukui":[14,108],"function,":[15],"softness)":[18],"in":[19,104,121,129],"presence":[21,131],"external":[23,112,133],"electric":[24,52,113],"field":[25,53,134],"has":[26,65],"been":[27,67],"studied":[28,68],"for":[29,99,125],"some":[30],"simple":[33,95],"prototype":[34],"molecular":[35],"systems.":[36],"In":[37],"addition":[38],"to":[39],"analysis":[41],"on":[42,54,76],"these":[46,63],"systems,":[47],"influence":[49],"interaction":[56],"energy":[57],"complexes":[60],"formed":[61],"by":[62],"systems":[64],"also":[66],"using":[69,83],"recently":[71],"proposed":[72],"semiquantitative":[73],"model":[74],"based":[75],"hard-soft":[79],"acid-base":[80],"principle.":[81],"By":[82],"inverse":[85],"relationship":[86,96],"between":[87],"hardness":[90,103,123],"softness":[92],"parameters,":[93],"a":[94,126],"is":[97,116],"obtained":[98],"variation":[101],"terms":[105],"function":[109],"under":[110],"field.":[114],"It":[115],"shown":[117],"that":[118,139],"increase":[120],"values":[124],"particular":[127],"system":[128,144],"does":[135],"not":[136],"necessarily":[137],"imply":[138],"would":[145],"be":[146],"deactivated":[147],"or":[148],"vice":[149],"versa.":[150]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":6},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}
