{"id":"https://openalex.org/W4406116477","doi":"https://doi.org/10.1021/acs.jcim.4c02187","title":"p<i>K</i><sub>a</sub> Matching Enables Quantum Proton Delocalization in Acid-1-Methylimidazole Binary Mixtures","display_name":"p<i>K</i><sub>a</sub> Matching Enables Quantum Proton Delocalization in Acid-1-Methylimidazole Binary Mixtures","publication_year":2025,"publication_date":"2025-01-07","ids":{"openalex":"https://openalex.org/W4406116477","doi":"https://doi.org/10.1021/acs.jcim.4c02187","pmid":"https://pubmed.ncbi.nlm.nih.gov/39772573"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c02187","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02187","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://repository.lsu.edu/chemistry_pubs/3939","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5115595273","display_name":"Rui Zhang","orcid":"https://orcid.org/0000-0001-8556-630X"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Rui Zhang","raw_affiliation_strings":["Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110937239","display_name":"D Ye","orcid":null},"institutions":[{"id":"https://openalex.org/I157725225","display_name":"University of Illinois Urbana-Champaign","ror":"https://ror.org/047426m28","country_code":"US","type":"education","lineage":["https://openalex.org/I157725225"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Dylan Ye","raw_affiliation_strings":["Department of Chemistry, University of Illinois at Urbana\u2500Champaign, Urbana, Illinois 61801, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Illinois at Urbana\u2500Champaign, Urbana, Illinois 61801, United States","institution_ids":["https://openalex.org/I157725225"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018790930","display_name":"Anit Gurung","orcid":"https://orcid.org/0000-0001-9348-0151"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anit Gurung","raw_affiliation_strings":["Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United States","institution_ids":["https://openalex.org/I121820613"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002393342","display_name":"Ralf Warmuth","orcid":null},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ralf Warmuth","raw_affiliation_strings":["Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States","institution_ids":["https://openalex.org/I102322142"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036956510","display_name":"Daniel G. Kuroda","orcid":"https://orcid.org/0000-0002-4752-7024"},"institutions":[{"id":"https://openalex.org/I121820613","display_name":"Louisiana State University","ror":"https://ror.org/05ect4e57","country_code":"US","type":"education","lineage":["https://openalex.org/I121820613"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Daniel G. Kuroda","raw_affiliation_strings":["Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United States","institution_ids":["https://openalex.org/I121820613"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5086996761","display_name":"Lu Wang","orcid":"https://orcid.org/0000-0001-6230-1835"},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Lu Wang","raw_affiliation_strings":["Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States","institution_ids":["https://openalex.org/I102322142"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5036956510","https://openalex.org/A5086996761"],"corresponding_institution_ids":["https://openalex.org/I102322142","https://openalex.org/I121820613"],"apc_list":null,"apc_paid":null,"fwci":0.9372,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.70009007,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"65","issue":"2","first_page":"798","last_page":"810"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9988999962806702,"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"}},"topics":[{"id":"https://openalex.org/T13013","display_name":"Free Radicals and Antioxidants","score":0.9988999962806702,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9980999827384949,"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":0.9980000257492065,"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/delocalized-electron","display_name":"Delocalized electron","score":0.8157178163528442},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.7031570672988892},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6102499961853027},{"id":"https://openalex.org/keywords/proton","display_name":"Proton","score":0.5784123539924622},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.3522734045982361},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.34282052516937256},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.22734585404396057},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.14389055967330933},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.09894031286239624}],"concepts":[{"id":"https://openalex.org/C70050531","wikidata":"https://www.wikidata.org/wiki/Q899089","display_name":"Delocalized electron","level":2,"score":0.8157178163528442},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.7031570672988892},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6102499961853027},{"id":"https://openalex.org/C54516573","wikidata":"https://www.wikidata.org/wiki/Q2294","display_name":"Proton","level":2,"score":0.5784123539924622},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3522734045982361},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.34282052516937256},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.22734585404396057},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.14389055967330933},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.09894031286239624},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000143","descriptor_name":"Acids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004121","descriptor_name":"Dimethyl Sulfoxide","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004121","descriptor_name":"Dimethyl Sulfoxide","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004121","descriptor_name":"Dimethyl Sulfoxide","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006863","descriptor_name":"Hydrogen-Ion Concentration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006863","descriptor_name":"Hydrogen-Ion Concentration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006863","descriptor_name":"Hydrogen-Ion Concentration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007093","descriptor_name":"Imidazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D007093","descriptor_name":"Imidazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D007093","descriptor_name":"Imidazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019342","descriptor_name":"Acetic Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D019342","descriptor_name":"Acetic Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.4c02187","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02187","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:39772573","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39772573","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 chemical information and modeling","raw_type":null},{"id":"pmh:oai:repository.lsu.edu:chemistry_pubs-4950","is_oa":true,"landing_page_url":"https://repository.lsu.edu/chemistry_pubs/3939","pdf_url":null,"source":{"id":"https://openalex.org/S4210169993","display_name":"Civil War Book Review","issn_l":"1528-6592","issn":["1528-6592"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310315936","host_organization_name":"Louisiana State University","host_organization_lineage":["https://openalex.org/P4310315936"],"host_organization_lineage_names":["Louisiana State University"],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Publications","raw_type":"text"}],"best_oa_location":{"id":"pmh:oai:repository.lsu.edu:chemistry_pubs-4950","is_oa":true,"landing_page_url":"https://repository.lsu.edu/chemistry_pubs/3939","pdf_url":null,"source":{"id":"https://openalex.org/S4210169993","display_name":"Civil War Book Review","issn_l":"1528-6592","issn":["1528-6592"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310315936","host_organization_name":"Louisiana State University","host_organization_lineage":["https://openalex.org/P4310315936"],"host_organization_lineage_names":["Louisiana State University"],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Faculty Publications","raw_type":"text"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G5380063895","display_name":null,"funder_award_id":"CHE-1904800","funder_id":"https://openalex.org/F4320337393","funder_display_name":"Division of Chemistry"}],"funders":[{"id":"https://openalex.org/F4320337393","display_name":"Division of Chemistry","ror":"https://ror.org/01ar8dr59"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":120,"referenced_works":["https://openalex.org/W1552736770","https://openalex.org/W1554255186","https://openalex.org/W1576668315","https://openalex.org/W1623091118","https://openalex.org/W1964929076","https://openalex.org/W1966964730","https://openalex.org/W1967396958","https://openalex.org/W1969524849","https://openalex.org/W1969798710","https://openalex.org/W1971251199","https://openalex.org/W1976668283","https://openalex.org/W1979494190","https://openalex.org/W1980358010","https://openalex.org/W1981368803","https://openalex.org/W1981824101","https://openalex.org/W1985545457","https://openalex.org/W1988195234","https://openalex.org/W1989060947","https://openalex.org/W1996084074","https://openalex.org/W1998829408","https://openalex.org/W2000770615","https://openalex.org/W2002583994","https://openalex.org/W2006958997","https://openalex.org/W2011215428","https://openalex.org/W2013738595","https://openalex.org/W2014166972","https://openalex.org/W2016879219","https://openalex.org/W2017360381","https://openalex.org/W2018123501","https://openalex.org/W2021851530","https://openalex.org/W2028741591","https://openalex.org/W2029234889","https://openalex.org/W2029667189","https://openalex.org/W2038947687","https://openalex.org/W2046203654","https://openalex.org/W2047524879","https://openalex.org/W2053227378","https://openalex.org/W2057477511","https://openalex.org/W2063661958","https://openalex.org/W2064882890","https://openalex.org/W2070611475","https://openalex.org/W2072624193","https://openalex.org/W2079026549","https://openalex.org/W2082545972","https://openalex.org/W2082688481","https://openalex.org/W2085118821","https://openalex.org/W2086683583","https://openalex.org/W2088762774","https://openalex.org/W2092157292","https://openalex.org/W2132905138","https://openalex.org/W2133966919","https://openalex.org/W2147304506","https://openalex.org/W2150697053","https://openalex.org/W2151896693","https://openalex.org/W2155604981","https://openalex.org/W2164658175","https://openalex.org/W2166091663","https://openalex.org/W2197497202","https://openalex.org/W2226681118","https://openalex.org/W2234998704","https://openalex.org/W2237528249","https://openalex.org/W2275915399","https://openalex.org/W2314762912","https://openalex.org/W2316385519","https://openalex.org/W2322467476","https://openalex.org/W2323116490","https://openalex.org/W2330409642","https://openalex.org/W2337374234","https://openalex.org/W2397528464","https://openalex.org/W2435408353","https://openalex.org/W2436052146","https://openalex.org/W2473651781","https://openalex.org/W2490633247","https://openalex.org/W2557890253","https://openalex.org/W2575230407","https://openalex.org/W2607241612","https://openalex.org/W2617563423","https://openalex.org/W2761626515","https://openalex.org/W2767049315","https://openalex.org/W2771412410","https://openalex.org/W2777506900","https://openalex.org/W2789857314","https://openalex.org/W2791136531","https://openalex.org/W2796249717","https://openalex.org/W2797410384","https://openalex.org/W2799751496","https://openalex.org/W2799792890","https://openalex.org/W2810088178","https://openalex.org/W2849619728","https://openalex.org/W2886120629","https://openalex.org/W2897183545","https://openalex.org/W2912943674","https://openalex.org/W2919772402","https://openalex.org/W2921849698","https://openalex.org/W2952684232","https://openalex.org/W2955307163","https://openalex.org/W2973922700","https://openalex.org/W2999182918","https://openalex.org/W3027308092","https://openalex.org/W3041044024","https://openalex.org/W3093723493","https://openalex.org/W3099252626","https://openalex.org/W3100709752","https://openalex.org/W3116483962","https://openalex.org/W3120315443","https://openalex.org/W3123364533","https://openalex.org/W3125672880","https://openalex.org/W3163927976","https://openalex.org/W3197230593","https://openalex.org/W3208670331","https://openalex.org/W4214713410","https://openalex.org/W4282921053","https://openalex.org/W4283770042","https://openalex.org/W4292084608","https://openalex.org/W4379377067","https://openalex.org/W4382048657","https://openalex.org/W4391250321","https://openalex.org/W4401729158","https://openalex.org/W4402484510","https://openalex.org/W4403708064"],"related_works":["https://openalex.org/W2007795634","https://openalex.org/W2362760774","https://openalex.org/W2011222688","https://openalex.org/W2009756778","https://openalex.org/W2060296000","https://openalex.org/W1989648600","https://openalex.org/W1494690047","https://openalex.org/W2063079310","https://openalex.org/W2054493351","https://openalex.org/W2033032668"],"abstract_inverted_index":{"Short":[0],"hydrogen":[1,176],"bonds":[2],"(SHBs),":[3],"characterized":[4],"by":[5],"donor-acceptor":[6],"heteroatom":[7],"separations":[8],"below":[9],"2.7":[10],"\u00c5,":[11],"are":[12],"prevalent":[13],"in":[14,21,51,60,69,100,123,142,179],"condensed-phase":[15],"systems.":[16],"Recently,":[17],"we":[18,44,86,112],"identified":[19],"SHBs":[20,117,203],"nonaqueous":[22,143],"binary":[23,52,129],"mixtures":[24,54,200],"of":[25,106,116,121,175,187],"acetic":[26],"acid":[27,65],"and":[28,33,55,66,109,118,126,171,189],"1-methylimidazole":[29],"(MIm),":[30],"where":[31],"electronic":[32,88,188],"nuclear":[34,190],"quantum":[35,153,191],"effects":[36],"facilitate":[37],"extensive":[38],"proton":[39,140,150,155],"delocalization.":[40,156],"In":[41],"this":[42],"work,":[43],"explore":[45],"the":[46,58,64,114,119,173,185],"conditions":[47],"favoring":[48],"SHB":[49],"formation":[50,115],"acid-base":[53,146],"propose":[56],"that":[57,134,201],"difference":[59],"p<i>K</i><sub>a</sub>":[61,94,135,169],"values":[62],"between":[63],"base,":[67,85],"measured":[68],"a":[70,77,83,104,162],"nonaqueous,":[71],"aprotic":[72],"solvent":[73],"like":[74],"DMSO,":[75],"is":[76],"key":[78],"determinant.":[79],"Using":[80],"MIm":[81],"as":[82,161],"model":[84],"perform":[87],"structure":[89],"calculations":[90],"to":[91,152,165],"systematically":[92],"analyze":[93],"matching":[95,136,170],"across":[96],"97":[97],"acid-MIm":[98,125,128],"pairs":[99],"DMSO":[101,160],"solutions.":[102],"Through":[103],"combination":[105],"first-principles":[107],"simulations":[108],"infrared":[110],"spectroscopy,":[111],"confirm":[113],"delocalization":[120],"protons":[122],"benzoic":[124],"salicylic":[127],"mixtures.":[130],"Our":[131],"results":[132,194],"demonstrate":[133],"can":[137],"significantly":[138],"alter":[139],"behavior":[141],"systems,":[144],"transforming":[145],"interactions":[147],"from":[148],"conventional":[149],"transfer":[151],"mechanical":[154],"This":[157],"work":[158],"establishes":[159],"valuable":[163],"alternative":[164],"water":[166],"for":[167,197,204],"assessing":[168],"highlights":[172],"importance":[174],"bond":[177],"networks":[178],"modulating":[180],"these":[181],"conditions.":[182],"By":[183],"elucidating":[184],"impact":[186],"effects,":[192],"our":[193],"provides":[195],"insights":[196],"designing":[198],"organic":[199],"leverage":[202],"advanced":[205],"material":[206],"applications.":[207]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
