{"id":"https://openalex.org/W2102298097","doi":"https://doi.org/10.1021/jp4031738","title":"Mechanism of the Deamination Reaction of Isoguanine: A Theoretical Investigation","display_name":"Mechanism of the Deamination Reaction of Isoguanine: A Theoretical Investigation","publication_year":2013,"publication_date":"2013-06-21","ids":{"openalex":"https://openalex.org/W2102298097","doi":"https://doi.org/10.1021/jp4031738","mag":"2102298097","pmid":"https://pubmed.ncbi.nlm.nih.gov/23789717"},"language":"en","primary_location":{"id":"doi:10.1021/jp4031738","doi":"https://doi.org/10.1021/jp4031738","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp4031738","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/A5050574580","display_name":"Youqing Yu","orcid":"https://orcid.org/0000-0002-2395-3539","observed_orcids":["https://orcid.org/0000-0002-2395-3539"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210116048","display_name":"Beijing National Laboratory for Molecular Sciences","ror":"https://ror.org/02601yx74","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210116048"]},{"id":"https://openalex.org/I4210155088","display_name":"Institute of Chemistry","ror":"https://ror.org/048y1rc66","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210155088"]},{"id":"https://openalex.org/I4391767853","display_name":"State Key Laboratory of Molecular Reaction Dynamics","ror":"https://ror.org/03j283p93","country_code":"CN","type":"facility","lineage":["https://openalex.org/I180585399","https://openalex.org/I19820366","https://openalex.org/I4391767853"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Youqing Yu","raw_affiliation_strings":["Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210116048","https://openalex.org/I4210155088","https://openalex.org/I4391767853"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031018816","display_name":"Kunhui Liu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210116048","display_name":"Beijing National Laboratory for Molecular Sciences","ror":"https://ror.org/02601yx74","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210116048"]},{"id":"https://openalex.org/I4210155088","display_name":"Institute of Chemistry","ror":"https://ror.org/048y1rc66","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210155088"]},{"id":"https://openalex.org/I4391767853","display_name":"State Key Laboratory of Molecular Reaction Dynamics","ror":"https://ror.org/03j283p93","country_code":"CN","type":"facility","lineage":["https://openalex.org/I180585399","https://openalex.org/I19820366","https://openalex.org/I4391767853"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Kunhui Liu","raw_affiliation_strings":["Beijing National Laboratory for Molecular\rSciences\r(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute\rof Chemistry, Chinese Academy of Sciences, Beijing 100190, China","Beijing National Laboratory for Molecular#R#Sciences#R#(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute#R#of Chemistry, Chinese Academy of Sciences, Beijing 100190, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Beijing National Laboratory for Molecular\rSciences\r(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute\rof Chemistry, Chinese Academy of Sciences, Beijing 100190, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210116048","https://openalex.org/I4210155088","https://openalex.org/I4391767853"]},{"raw_affiliation_string":"Beijing National Laboratory for Molecular#R#Sciences#R#(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute#R#of Chemistry, Chinese Academy of Sciences, Beijing 100190, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210116048","https://openalex.org/I4210155088","https://openalex.org/I4391767853"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011112981","display_name":"Hongmei Zhao","orcid":"https://orcid.org/0000-0002-3655-6882","observed_orcids":["https://orcid.org/0000-0002-3655-6882"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210116048","display_name":"Beijing National Laboratory for Molecular Sciences","ror":"https://ror.org/02601yx74","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210116048"]},{"id":"https://openalex.org/I4210155088","display_name":"Institute of Chemistry","ror":"https://ror.org/048y1rc66","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210155088"]},{"id":"https://openalex.org/I4391767853","display_name":"State Key Laboratory of Molecular Reaction Dynamics","ror":"https://ror.org/03j283p93","country_code":"CN","type":"facility","lineage":["https://openalex.org/I180585399","https://openalex.org/I19820366","https://openalex.org/I4391767853"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hongmei Zhao","raw_affiliation_strings":["Beijing National Laboratory for Molecular\rSciences\r(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute\rof Chemistry, Chinese Academy of Sciences, Beijing 100190, China","Beijing National Laboratory for Molecular#R#Sciences#R#(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute#R#of Chemistry, Chinese Academy of Sciences, Beijing 100190, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Beijing National Laboratory for Molecular\rSciences\r(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute\rof Chemistry, Chinese Academy of Sciences, Beijing 100190, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210116048","https://openalex.org/I4210155088","https://openalex.org/I4391767853"]},{"raw_affiliation_string":"Beijing National Laboratory for Molecular#R#Sciences#R#(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute#R#of Chemistry, Chinese Academy of Sciences, Beijing 100190, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210116048","https://openalex.org/I4210155088","https://openalex.org/I4391767853"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5035662466","display_name":"Di Song","orcid":"https://orcid.org/0000-0002-8652-0896","observed_orcids":["https://orcid.org/0000-0002-8652-0896"]},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210116048","display_name":"Beijing National Laboratory for Molecular Sciences","ror":"https://ror.org/02601yx74","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210116048"]},{"id":"https://openalex.org/I4210155088","display_name":"Institute of Chemistry","ror":"https://ror.org/048y1rc66","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210155088"]},{"id":"https://openalex.org/I4391767853","display_name":"State Key Laboratory of Molecular Reaction Dynamics","ror":"https://ror.org/03j283p93","country_code":"CN","type":"facility","lineage":["https://openalex.org/I180585399","https://openalex.org/I19820366","https://openalex.org/I4391767853"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Di Song","raw_affiliation_strings":["Beijing National Laboratory for Molecular\rSciences\r(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute\rof Chemistry, Chinese Academy of Sciences, Beijing 100190, China","Beijing National Laboratory for Molecular#R#Sciences#R#(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute#R#of Chemistry, Chinese Academy of Sciences, Beijing 100190, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Beijing National Laboratory for Molecular\rSciences\r(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute\rof Chemistry, Chinese Academy of Sciences, Beijing 100190, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210116048","https://openalex.org/I4210155088","https://openalex.org/I4391767853"]},{"raw_affiliation_string":"Beijing National Laboratory for Molecular#R#Sciences#R#(BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute#R#of Chemistry, Chinese Academy of Sciences, Beijing 100190, China","institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210116048","https://openalex.org/I4210155088","https://openalex.org/I4391767853"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5035662466"],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I4210116048","https://openalex.org/I4210155088","https://openalex.org/I4391767853"],"apc_list":null,"apc_paid":null,"fwci":0.2748,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.48801809,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":96},"biblio":{"volume":"117","issue":"28","first_page":"5715","last_page":"5725"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12191","display_name":"Physical Organic Chemistry and Reaction Kinetics","score":0.9883000254631042,"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/T12191","display_name":"Physical Organic Chemistry and Reaction Kinetics","score":0.9883000254631042,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.003599999938160181,"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/T10432","display_name":"DNA and Nucleic Acid Chemistry","score":0.002099999925121665,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/isoguanine","display_name":"isoguanine","score":0.9900000095367432},{"id":"https://openalex.org/keywords/reaction-mechanism","display_name":"reaction mechanism","score":0.9599999785423279},{"id":"https://openalex.org/keywords/hydroxide-catalysis","display_name":"hydroxide catalysis","score":0.7210000157356262},{"id":"https://openalex.org/keywords/water-catalysis","display_name":"water catalysis","score":0.5989999771118164},{"id":"https://openalex.org/keywords/activation-energy","display_name":"activation energy","score":0.765999972820282},{"id":"https://openalex.org/keywords/activation-free-energy","display_name":"activation free energy","score":0.9670000076293945},{"id":"https://openalex.org/keywords/reaction-thermodynamics","display_name":"reaction thermodynamics","score":0.6460000276565552}],"concepts":[{"id":"https://openalex.org/C145782189","wikidata":"https://www.wikidata.org/wiki/Q628025","display_name":"Deamination","level":3,"score":0.9538531303405762},{"id":"https://openalex.org/C146477669","wikidata":"https://www.wikidata.org/wiki/Q334631","display_name":"Gibbs free energy","level":2,"score":0.8297606706619263},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7565652132034302},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.7221052050590515},{"id":"https://openalex.org/C95121573","wikidata":"https://www.wikidata.org/wiki/Q190474","display_name":"Activation energy","level":2,"score":0.6505817174911499},{"id":"https://openalex.org/C65024703","wikidata":"https://www.wikidata.org/wiki/Q373406","display_name":"Reaction mechanism","level":3,"score":0.627962589263916},{"id":"https://openalex.org/C118629725","wikidata":"https://www.wikidata.org/wiki/Q2686738","display_name":"Deprotonation","level":3,"score":0.597640872001648},{"id":"https://openalex.org/C3288061","wikidata":"https://www.wikidata.org/wiki/Q161064","display_name":"Enthalpy","level":2,"score":0.593969464302063},{"id":"https://openalex.org/C184651966","wikidata":"https://www.wikidata.org/wiki/Q906356","display_name":"Aqueous solution","level":2,"score":0.49446940422058105},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.4827343821525574},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.4540409445762634},{"id":"https://openalex.org/C197974221","wikidata":"https://www.wikidata.org/wiki/Q2526373","display_name":"Oxidative deamination","level":3,"score":0.4417400360107422},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4157489836215973},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.15458199381828308},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.12201109528541565},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0768914520740509},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.042550355195999146},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D003641","descriptor_name":"Deamination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006147","descriptor_name":"Guanine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","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":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019820","descriptor_name":"Xanthine","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D019820","descriptor_name":"Xanthine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/jp4031738","doi":"https://doi.org/10.1021/jp4031738","is_oa":false,"landing_page_url":"https://doi.org/10.1021/jp4031738","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:23789717","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23789717","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"},{"id":"pmh:oai:cas-ir.dicp.ac.cn:321008/137975","doi":null,"is_oa":false,"landing_page_url":"http://cas-ir.dicp.ac.cn/handle/321008/137975","pdf_url":null,"source":{"id":"https://openalex.org/S7407064340","display_name":"Dalian Institute of Chemical Physics, CAS Institutional Repository","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":23,"referenced_works":["https://openalex.org/W1615875025","https://openalex.org/W1810998605","https://openalex.org/W1980605870","https://openalex.org/W1980683965","https://openalex.org/W1980828861","https://openalex.org/W1986409211","https://openalex.org/W1990734020","https://openalex.org/W1993882455","https://openalex.org/W2007894682","https://openalex.org/W2023689359","https://openalex.org/W2023919979","https://openalex.org/W2024028136","https://openalex.org/W2026276577","https://openalex.org/W2036660056","https://openalex.org/W2038083805","https://openalex.org/W2047612521","https://openalex.org/W2064560470","https://openalex.org/W2079458939","https://openalex.org/W2131786116","https://openalex.org/W2131961383","https://openalex.org/W2142997566","https://openalex.org/W2159462540","https://openalex.org/W2327738758"],"related_works":["https://openalex.org/W1980683965","https://openalex.org/W4313263827","https://openalex.org/W1993882455","https://openalex.org/W2122615341","https://openalex.org/W2064560470","https://openalex.org/W4288886008","https://openalex.org/W2606511315","https://openalex.org/W1810998605","https://openalex.org/W3003436503","https://openalex.org/W2197974546"],"abstract_inverted_index":{"Mechanisms":[0],"of":[1,5,13,46,59,70,79,90,107,113,138,140,151],"the":[2,33,56,67,82,87,98,105,111,125,148],"deamination":[3,57,68,88],"reactions":[4],"isoguanine":[6,15,60,63,71,91,114],"with":[7,17,55,65,72,102,115],"H2O,":[8],"OH(-),":[9],"and":[10,12,32,38,43,119,142],"OH(-)/H2O":[11],"protonated":[14,62],"(isoGH(+))":[16,64],"H2O":[18],"have":[19,29],"been":[20,30],"investigated":[21],"by":[22],"theoretical":[23],"calculations.":[24],"Eight":[25],"pathways,":[26],"paths":[27],"A-H,":[28],"explored":[31],"thermodynamic":[34],"properties":[35],"(\u0394E,":[36],"\u0394H,":[37],"\u0394G),":[39],"activation":[40,47,80,139],"energies,":[41],"enthalpies,":[42],"Gibbs":[44,77,136],"energies":[45],"were":[48],"calculated":[49],"for":[50,97],"each":[51],"reaction":[52,58,69,89,112],"investigated.":[53],"Compared":[54],"or":[61],"water,":[66,110],"OH(-)":[73],"shows":[74],"a":[75],"lower":[76],"energy":[78,137],"at":[81,147],"rate-determining":[83],"step,":[84],"indicating":[85],"that":[86],"is":[92],"favorably":[93],"to":[94,123,133],"take":[95],"place":[96],"deprotonated":[99],"form":[100],"isoG(-)":[101],"water.":[103],"With":[104],"assistance":[106],"an":[108],"extra":[109],"OH(-)/H2O,":[116],"pathways":[117,128],"F":[118],"H,":[120],"are":[121],"found":[122],"be":[124],"most":[126],"feasible":[127],"in":[129],"aqueous":[130],"solution":[131],"due":[132],"their":[134],"lowest":[135],"174.7":[141],"172.6":[143],"kJ":[144],"mol(-1),":[145],"respectively,":[146],"B3LYP/6-311++G(d,p)":[149],"level":[150],"theory.":[152]},"counts_by_year":[{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}