{"id":"https://openalex.org/W2067533043","doi":"https://doi.org/10.1016/s0097-8485(97)00057-0","title":"Application of reaction path concept in intramolecular proton transfer","display_name":"Application of reaction path concept in intramolecular proton transfer","publication_year":1998,"publication_date":"1998-02-01","ids":{"openalex":"https://openalex.org/W2067533043","doi":"https://doi.org/10.1016/s0097-8485(97)00057-0","mag":"2067533043"},"language":"en","primary_location":{"id":"doi:10.1016/s0097-8485(97)00057-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(97)00057-0","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers &amp; Chemistry","raw_type":"journal-article"},"type":"article","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/A5100842526","display_name":"Andrzej Jaworski","orcid":null},"institutions":[{"id":"https://openalex.org/I4210086947","display_name":"Institute of Physics","ror":"https://ror.org/000sfad56","country_code":"PL","type":"facility","lineage":["https://openalex.org/I4210086947","https://openalex.org/I99542240"]},{"id":"https://openalex.org/I108403487","display_name":"Warsaw University of Technology","ror":"https://ror.org/00y0xnp53","country_code":"PL","type":"education","lineage":["https://openalex.org/I108403487"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Andrzej Jaworski","raw_affiliation_strings":["Institute of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw, Poland","Institute of Physics , Warsaw University of Technology , Koszykowa 75, 00-662, Warsaw, Poland"],"affiliations":[{"raw_affiliation_string":"Institute of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw, Poland","institution_ids":["https://openalex.org/I108403487","https://openalex.org/I4210086947"]},{"raw_affiliation_string":"Institute of Physics , Warsaw University of Technology , Koszykowa 75, 00-662, Warsaw, Poland","institution_ids":["https://openalex.org/I108403487","https://openalex.org/I4210086947"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5100842526"],"corresponding_institution_ids":["https://openalex.org/I108403487","https://openalex.org/I4210086947"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.15830438,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"22","issue":"1","first_page":"13","last_page":"20"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":1.0,"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":1.0,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9984999895095825,"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/T13013","display_name":"Free Radicals and Antioxidants","score":0.9983000159263611,"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/intramolecular-force","display_name":"Intramolecular force","score":0.7788513898849487},{"id":"https://openalex.org/keywords/reaction-coordinate","display_name":"Reaction coordinate","score":0.7200053930282593},{"id":"https://openalex.org/keywords/cartesian-coordinate-system","display_name":"Cartesian coordinate system","score":0.6781213283538818},{"id":"https://openalex.org/keywords/proton","display_name":"Proton","score":0.6002197265625},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.5901007056236267},{"id":"https://openalex.org/keywords/path","display_name":"Path (computing)","score":0.5295045375823975},{"id":"https://openalex.org/keywords/excited-state","display_name":"Excited state","score":0.4792049825191498},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.47599470615386963},{"id":"https://openalex.org/keywords/ab-initio-quantum-chemistry-methods","display_name":"Ab initio quantum chemistry methods","score":0.47594523429870605},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.46387919783592224},{"id":"https://openalex.org/keywords/ground-state","display_name":"Ground state","score":0.44643837213516235},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.33964407444000244},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.30814939737319946},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.16653183102607727},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.16359388828277588},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1530185341835022},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.12852248549461365},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.11726510524749756},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.1093938946723938}],"concepts":[{"id":"https://openalex.org/C75079739","wikidata":"https://www.wikidata.org/wiki/Q1571801","display_name":"Intramolecular force","level":2,"score":0.7788513898849487},{"id":"https://openalex.org/C18553476","wikidata":"https://www.wikidata.org/wiki/Q1076414","display_name":"Reaction coordinate","level":2,"score":0.7200053930282593},{"id":"https://openalex.org/C16038011","wikidata":"https://www.wikidata.org/wiki/Q62912","display_name":"Cartesian coordinate system","level":2,"score":0.6781213283538818},{"id":"https://openalex.org/C54516573","wikidata":"https://www.wikidata.org/wiki/Q2294","display_name":"Proton","level":2,"score":0.6002197265625},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5901007056236267},{"id":"https://openalex.org/C2777735758","wikidata":"https://www.wikidata.org/wiki/Q817765","display_name":"Path (computing)","level":2,"score":0.5295045375823975},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.4792049825191498},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.47599470615386963},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.47594523429870605},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.46387919783592224},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.44643837213516235},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.33964407444000244},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.30814939737319946},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.16653183102607727},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.16359388828277588},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1530185341835022},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.12852248549461365},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.11726510524749756},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.1093938946723938},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/s0097-8485(97)00057-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(97)00057-0","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers &amp; Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":16,"referenced_works":["https://openalex.org/W1970638471","https://openalex.org/W1971275758","https://openalex.org/W1972504340","https://openalex.org/W1992173555","https://openalex.org/W2006947798","https://openalex.org/W2007374681","https://openalex.org/W2011079470","https://openalex.org/W2014767176","https://openalex.org/W2016988258","https://openalex.org/W2019359281","https://openalex.org/W2030735482","https://openalex.org/W2059745704","https://openalex.org/W2077973224","https://openalex.org/W2079458939","https://openalex.org/W2143981217","https://openalex.org/W4247048555"],"related_works":["https://openalex.org/W2071676860","https://openalex.org/W2063391978","https://openalex.org/W800251536","https://openalex.org/W2595508481","https://openalex.org/W4287877216","https://openalex.org/W2065301963","https://openalex.org/W240981405","https://openalex.org/W1995432846","https://openalex.org/W2025274054","https://openalex.org/W2896695310"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
