{"id":"https://openalex.org/W1989018525","doi":"https://doi.org/10.1016/0097-8485(94)00048-j","title":"Theoretical calculations of heavy-atom isotope effects","display_name":"Theoretical calculations of heavy-atom isotope effects","publication_year":1995,"publication_date":"1995-03-01","ids":{"openalex":"https://openalex.org/W1989018525","doi":"https://doi.org/10.1016/0097-8485(94)00048-j","mag":"1989018525","pmid":"https://pubmed.ncbi.nlm.nih.gov/7735700"},"language":"en","primary_location":{"id":"doi:10.1016/0097-8485(94)00048-j","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(94)00048-j","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 & Chemistry","raw_type":"journal-article"},"type":"review","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/A5027575830","display_name":"Piotr Paneth","orcid":"https://orcid.org/0000-0002-3091-8387"},"institutions":[{"id":"https://openalex.org/I34250744","display_name":"University of \u0141\u00f3d\u017a","ror":"https://ror.org/05cq64r17","country_code":"PL","type":"education","lineage":["https://openalex.org/I34250744"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Piotr Paneth","raw_affiliation_strings":["Technical University of L\u00f3d\u017a, Institute of Applied Radiation Chemistry, Poland"],"affiliations":[{"raw_affiliation_string":"Technical University of L\u00f3d\u017a, Institute of Applied Radiation Chemistry, Poland","institution_ids":["https://openalex.org/I34250744"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5027575830"],"corresponding_institution_ids":["https://openalex.org/I34250744"],"apc_list":null,"apc_paid":null,"fwci":0.6581,"has_fulltext":false,"cited_by_count":13,"citation_normalized_percentile":{"value":0.68559067,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"19","issue":"1","first_page":"11","last_page":"20"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12055","display_name":"Boron Compounds in Chemistry","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T12055","display_name":"Boron Compounds in Chemistry","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10973","display_name":"Radioactive element chemistry and processing","score":0.9979000091552734,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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/T13561","display_name":"Chemical Reactions and Isotopes","score":0.9966999888420105,"subfield":{"id":"https://openalex.org/subfields/3003","display_name":"Pharmaceutical Science"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/kinetic-isotope-effect","display_name":"Kinetic isotope effect","score":0.642874002456665},{"id":"https://openalex.org/keywords/isotope","display_name":"Isotope","score":0.6283214092254639},{"id":"https://openalex.org/keywords/quantum-chemistry","display_name":"Quantum chemistry","score":0.6049929857254028},{"id":"https://openalex.org/keywords/scrutiny","display_name":"Scrutiny","score":0.5715758204460144},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.5661698579788208},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.45177358388900757},{"id":"https://openalex.org/keywords/quantum-chemical","display_name":"Quantum chemical","score":0.4474650025367737},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4164485037326813},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.35404670238494873},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.3301005959510803},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.32645678520202637},{"id":"https://openalex.org/keywords/nuclear-physics","display_name":"Nuclear physics","score":0.24400046467781067},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.16970962285995483},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.14013051986694336},{"id":"https://openalex.org/keywords/deuterium","display_name":"Deuterium","score":0.0923638641834259},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.07709565758705139},{"id":"https://openalex.org/keywords/philosophy","display_name":"Philosophy","score":0.07288804650306702}],"concepts":[{"id":"https://openalex.org/C69928629","wikidata":"https://www.wikidata.org/wiki/Q1386472","display_name":"Kinetic isotope effect","level":3,"score":0.642874002456665},{"id":"https://openalex.org/C164304813","wikidata":"https://www.wikidata.org/wiki/Q25276","display_name":"Isotope","level":2,"score":0.6283214092254639},{"id":"https://openalex.org/C22994065","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemistry","level":4,"score":0.6049929857254028},{"id":"https://openalex.org/C2776050585","wikidata":"https://www.wikidata.org/wiki/Q7439360","display_name":"Scrutiny","level":2,"score":0.5715758204460144},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.5661698579788208},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.45177358388900757},{"id":"https://openalex.org/C2991951333","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemical","level":3,"score":0.4474650025367737},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4164485037326813},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.35404670238494873},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3301005959510803},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.32645678520202637},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.24400046467781067},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.16970962285995483},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.14013051986694336},{"id":"https://openalex.org/C58364064","wikidata":"https://www.wikidata.org/wiki/Q102296","display_name":"Deuterium","level":2,"score":0.0923638641834259},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.07709565758705139},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.07288804650306702},{"id":"https://openalex.org/C27206212","wikidata":"https://www.wikidata.org/wiki/Q34178","display_name":"Theology","level":1,"score":0.0},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.0},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003653","descriptor_name":"Decarboxylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003653","descriptor_name":"Decarboxylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003653","descriptor_name":"Decarboxylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006868","descriptor_name":"Hydrolysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006868","descriptor_name":"Hydrolysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006868","descriptor_name":"Hydrolysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007554","descriptor_name":"Isotopes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007554","descriptor_name":"Isotopes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007554","descriptor_name":"Isotopes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","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":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","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":"D015394","descriptor_name":"Molecular Structure","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":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/0097-8485(94)00048-j","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0097-8485(94)00048-j","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 & Chemistry","raw_type":"journal-article"},{"id":"pmid:7735700","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/7735700","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":"Computers & chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":62,"referenced_works":["https://openalex.org/W229969907","https://openalex.org/W563561122","https://openalex.org/W599008557","https://openalex.org/W637351784","https://openalex.org/W655029522","https://openalex.org/W1519544949","https://openalex.org/W1576751465","https://openalex.org/W1965218722","https://openalex.org/W1966549314","https://openalex.org/W1969853057","https://openalex.org/W1970275133","https://openalex.org/W1974147495","https://openalex.org/W1976106600","https://openalex.org/W1982346073","https://openalex.org/W1986895930","https://openalex.org/W1989108732","https://openalex.org/W1989336792","https://openalex.org/W1989710930","https://openalex.org/W1992333045","https://openalex.org/W1992378478","https://openalex.org/W1998619205","https://openalex.org/W2001380180","https://openalex.org/W2003385279","https://openalex.org/W2004303971","https://openalex.org/W2005509656","https://openalex.org/W2009653687","https://openalex.org/W2011805684","https://openalex.org/W2013032090","https://openalex.org/W2014516631","https://openalex.org/W2015205317","https://openalex.org/W2018653504","https://openalex.org/W2021225146","https://openalex.org/W2023271753","https://openalex.org/W2029152012","https://openalex.org/W2034315740","https://openalex.org/W2034643885","https://openalex.org/W2035839127","https://openalex.org/W2035865543","https://openalex.org/W2040617774","https://openalex.org/W2041245710","https://openalex.org/W2044669749","https://openalex.org/W2045242647","https://openalex.org/W2046562899","https://openalex.org/W2052259821","https://openalex.org/W2055563809","https://openalex.org/W2060606027","https://openalex.org/W2060671473","https://openalex.org/W2076301087","https://openalex.org/W2077973224","https://openalex.org/W2080103333","https://openalex.org/W2086957099","https://openalex.org/W2087405326","https://openalex.org/W2093286534","https://openalex.org/W2122626413","https://openalex.org/W2127336290","https://openalex.org/W2315510212","https://openalex.org/W2323080941","https://openalex.org/W2611048536","https://openalex.org/W2922084369","https://openalex.org/W2983722198","https://openalex.org/W3004676505","https://openalex.org/W4248395627"],"related_works":["https://openalex.org/W2114994853","https://openalex.org/W2068071540","https://openalex.org/W4251798811","https://openalex.org/W2059713585","https://openalex.org/W2150909182","https://openalex.org/W4252682214","https://openalex.org/W1513383154","https://openalex.org/W2082813959","https://openalex.org/W2152907606","https://openalex.org/W2949712398"],"abstract_inverted_index":null,"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}