{"id":"https://openalex.org/W4401001982","doi":"https://doi.org/10.1016/j.molstruc.2024.139328","title":"A theoretical elucidation of the role of explicit solvent in the excited-state double proton transfer process for 2,4-Bisimidazolylphenol","display_name":"A theoretical elucidation of the role of explicit solvent in the excited-state double proton transfer process for 2,4-Bisimidazolylphenol","publication_year":2024,"publication_date":"2024-07-25","ids":{"openalex":"https://openalex.org/W4401001982","doi":"https://doi.org/10.1016/j.molstruc.2024.139328"},"language":"en","primary_location":{"id":"doi:10.1016/j.molstruc.2024.139328","doi":"https://doi.org/10.1016/j.molstruc.2024.139328","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2024.139328","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","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":"Journal of Molecular Structure","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W4401001982"],"child_works_count":0,"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/A5100393255","display_name":"Xin Xin","orcid":"https://orcid.org/0000-0003-3987-0479","observed_orcids":["https://orcid.org/0000-0003-3987-0479"]},"institutions":[{"id":"https://openalex.org/I118803816","display_name":"Liaoning University","ror":"https://ror.org/03xpwj629","country_code":"CN","type":"education","lineage":["https://openalex.org/I118803816"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xin Xin","raw_affiliation_strings":["School of Physics, Liaoning University, Shenyang 110036, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Liaoning University, Shenyang 110036, China","institution_ids":["https://openalex.org/I118803816"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032103164","display_name":"Wei Q. Shi","orcid":"https://orcid.org/0000-0001-5453-1753","observed_orcids":["https://orcid.org/0000-0001-5453-1753"]},"institutions":[{"id":"https://openalex.org/I118803816","display_name":"Liaoning University","ror":"https://ror.org/03xpwj629","country_code":"CN","type":"education","lineage":["https://openalex.org/I118803816"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Shi","raw_affiliation_strings":["School of Physics, Liaoning University, Shenyang 110036, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Liaoning University, Shenyang 110036, China","institution_ids":["https://openalex.org/I118803816"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Rulin Jia","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210158717","display_name":"Criminal Investigation Police University of China","ror":"https://ror.org/04vnevw94","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210158717"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Rulin Jia","raw_affiliation_strings":["School of Forensic Science and Technology, Criminal Investigation Police University of China, Shenyang, Liaoning 110035, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Forensic Science and Technology, Criminal Investigation Police University of China, Shenyang, Liaoning 110035, China","institution_ids":["https://openalex.org/I4210158717"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077591572","display_name":"Guijie Zhao","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118803816","display_name":"Liaoning University","ror":"https://ror.org/03xpwj629","country_code":"CN","type":"education","lineage":["https://openalex.org/I118803816"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Guijie Zhao","raw_affiliation_strings":["School of Physics, Liaoning University, Shenyang 110036, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Liaoning University, Shenyang 110036, China","institution_ids":["https://openalex.org/I118803816"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020819410","display_name":"Hongbin Zhuang","orcid":"https://orcid.org/0009-0004-4303-2851","observed_orcids":["https://orcid.org/0009-0004-4303-2851"]},"institutions":[{"id":"https://openalex.org/I118803816","display_name":"Liaoning University","ror":"https://ror.org/03xpwj629","country_code":"CN","type":"education","lineage":["https://openalex.org/I118803816"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hongbin Zhuang","raw_affiliation_strings":["School of Physics, Liaoning University, Shenyang 110036, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Liaoning University, Shenyang 110036, China","institution_ids":["https://openalex.org/I118803816"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5008729728","display_name":"Yongqing Li","orcid":"https://orcid.org/0000-0001-7673-1844","observed_orcids":["https://orcid.org/0000-0001-7673-1844"]},"institutions":[{"id":"https://openalex.org/I118803816","display_name":"Liaoning University","ror":"https://ror.org/03xpwj629","country_code":"CN","type":"education","lineage":["https://openalex.org/I118803816"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yongqing Li","raw_affiliation_strings":["School of Physics, Liaoning University, Shenyang 110036, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physics, Liaoning University, Shenyang 110036, China","institution_ids":["https://openalex.org/I118803816"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5008729728"],"corresponding_institution_ids":["https://openalex.org/I118803816"],"apc_list":{"value":3570,"currency":"USD","value_usd":3570},"apc_paid":null,"fwci":1.365,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.76442863,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"1318","issue":null,"first_page":"139328","last_page":"139328"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.9955999851226807,"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"}},"topics":[{"id":"https://openalex.org/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.9955999851226807,"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/T11708","display_name":"Photochromic and Fluorescence Chemistry","score":0.002899999963119626,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.000699999975040555,"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/excited-state-proton-transfer","display_name":"excited-state proton transfer","score":0.8209999799728394},{"id":"https://openalex.org/keywords/double-proton-transfer","display_name":"double proton transfer","score":0.9290000200271606},{"id":"https://openalex.org/keywords/explicit-solvent-effects","display_name":"explicit solvent effects","score":0.8920000195503235},{"id":"https://openalex.org/keywords/intermolecular-hydrogen-bonding","display_name":"intermolecular hydrogen bonding","score":0.8130000233650208},{"id":"https://openalex.org/keywords/intramolecular-hydrogen-bonding","display_name":"intramolecular hydrogen bonding","score":0.796999990940094},{"id":"https://openalex.org/keywords/photochromism","display_name":"photochromism","score":0.7699999809265137},{"id":"https://openalex.org/keywords/fluorescent-molecules","display_name":"fluorescent molecules","score":0.8669999837875366}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9768325686454773},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.637227475643158},{"id":"https://openalex.org/C54516573","wikidata":"https://www.wikidata.org/wiki/Q2294","display_name":"Proton","level":2,"score":0.6103194355964661},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.5766218304634094},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.5331769585609436},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.5177768468856812},{"id":"https://openalex.org/C48103436","wikidata":"https://www.wikidata.org/wiki/Q599031","display_name":"State (computer science)","level":2,"score":0.47098419070243835},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.351338654756546},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.34110307693481445},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.23134511709213257},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.18382501602172852},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.12113800644874573},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.06700468063354492},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.molstruc.2024.139328","doi":"https://doi.org/10.1016/j.molstruc.2024.139328","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2024.139328","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","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":"Journal of Molecular Structure","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":63,"referenced_works":["https://openalex.org/W2003286577","https://openalex.org/W2011215428","https://openalex.org/W2024109052","https://openalex.org/W2029667189","https://openalex.org/W2037738464","https://openalex.org/W2053240727","https://openalex.org/W2132525235","https://openalex.org/W2143981217","https://openalex.org/W2574050718","https://openalex.org/W2592364803","https://openalex.org/W2734548515","https://openalex.org/W2765875750","https://openalex.org/W2790211694","https://openalex.org/W2800911630","https://openalex.org/W2800937743","https://openalex.org/W2898257166","https://openalex.org/W2902738184","https://openalex.org/W2904197650","https://openalex.org/W2925058020","https://openalex.org/W2927070605","https://openalex.org/W2955742868","https://openalex.org/W2961549030","https://openalex.org/W2969442799","https://openalex.org/W2980656383","https://openalex.org/W2982771116","https://openalex.org/W2996668155","https://openalex.org/W2997812661","https://openalex.org/W3002197873","https://openalex.org/W3002767825","https://openalex.org/W3012401792","https://openalex.org/W3082966176","https://openalex.org/W3106713128","https://openalex.org/W3132796766","https://openalex.org/W3136845633","https://openalex.org/W3154971255","https://openalex.org/W3164160429","https://openalex.org/W3170965117","https://openalex.org/W3171070948","https://openalex.org/W3174897745","https://openalex.org/W3183794284","https://openalex.org/W3215748032","https://openalex.org/W4200101699","https://openalex.org/W4200111506","https://openalex.org/W4206658784","https://openalex.org/W4213019311","https://openalex.org/W4280564038","https://openalex.org/W4293660344","https://openalex.org/W4294970404","https://openalex.org/W4297537632","https://openalex.org/W4298009242","https://openalex.org/W4308771761","https://openalex.org/W4317213339","https://openalex.org/W4321373832","https://openalex.org/W4362575542","https://openalex.org/W4362591446","https://openalex.org/W4367835853","https://openalex.org/W4385740165","https://openalex.org/W4386865501","https://openalex.org/W4387339666","https://openalex.org/W4387498261","https://openalex.org/W4388834777","https://openalex.org/W4391151581","https://openalex.org/W4391817782"],"related_works":["https://openalex.org/W4417488431","https://openalex.org/W2733418863","https://openalex.org/W4241092611","https://openalex.org/W3113725127","https://openalex.org/W3215549844","https://openalex.org/W2896538677","https://openalex.org/W3198447397","https://openalex.org/W7154141879","https://openalex.org/W3008264673","https://openalex.org/W7130923201"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":1}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2024-07-26T00:00:00"}
