{"id":"https://openalex.org/W2032018577","doi":"https://doi.org/10.1021/ic991324v","title":"Effects of Substituents on the Thermodynamic and Kinetic Stabilities of HCGeX (X = H, CH3, F, and Cl) Isomers. A Theoretical Study","display_name":"Effects of Substituents on the Thermodynamic and Kinetic Stabilities of HCGeX (X = H, CH3, F, and Cl) Isomers. A Theoretical Study","publication_year":2000,"publication_date":"2000-07-18","ids":{"openalex":"https://openalex.org/W2032018577","doi":"https://doi.org/10.1021/ic991324v","mag":"2032018577","pmid":"https://pubmed.ncbi.nlm.nih.gov/11196810"},"language":"en","primary_location":{"id":"doi:10.1021/ic991324v","doi":"https://doi.org/10.1021/ic991324v","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ic991324v","pdf_url":null,"source":{"id":"https://openalex.org/S171072222","display_name":"Inorganic Chemistry","issn_l":"0020-1669","issn":["0020-1669","1520-510X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","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":"Inorganic Chemistry","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/A5113570870","display_name":"Hsin\u2010Yi Liao","orcid":"https://orcid.org/0000-0003-3427-642X","observed_orcids":["https://orcid.org/0000-0003-3427-642X"]},"institutions":[{"id":"https://openalex.org/I152743029","display_name":"Kaohsiung Medical University","ror":"https://ror.org/03gk81f96","country_code":"TW","type":"education","lineage":["https://openalex.org/I152743029"]},{"id":"https://openalex.org/I25846049","display_name":"National Tsing Hua University","ror":"https://ror.org/00zdnkx70","country_code":"TW","type":"education","lineage":["https://openalex.org/I25846049"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Hsin-Yi Liao","raw_affiliation_strings":["Department of Chemistry, National Tsing Hua University, Hsinchu 30043, Taiwan, R.O.C., and School of Chemistry, Kaoshiung Medical University, Kaoshiung 80708, Taiwan, R.O.C"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, National Tsing Hua University, Hsinchu 30043, Taiwan, R.O.C., and School of Chemistry, Kaoshiung Medical University, Kaoshiung 80708, Taiwan, R.O.C","institution_ids":["https://openalex.org/I152743029","https://openalex.org/I25846049"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040427661","display_name":"Ming\u2010Der Su","orcid":"https://orcid.org/0000-0002-5847-4271","observed_orcids":["https://orcid.org/0000-0002-5847-4271"]},"institutions":[{"id":"https://openalex.org/I152743029","display_name":"Kaohsiung Medical University","ror":"https://ror.org/03gk81f96","country_code":"TW","type":"education","lineage":["https://openalex.org/I152743029"]},{"id":"https://openalex.org/I25846049","display_name":"National Tsing Hua University","ror":"https://ror.org/00zdnkx70","country_code":"TW","type":"education","lineage":["https://openalex.org/I25846049"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"Ming-Der Su","raw_affiliation_strings":["Department of Chemistry, National Tsing Hua University, Hsinchu 30043, Taiwan, R.O.C., and School of Chemistry, Kaoshiung Medical University, Kaoshiung 80708, Taiwan, R.O.C"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, National Tsing Hua University, Hsinchu 30043, Taiwan, R.O.C., and School of Chemistry, Kaoshiung Medical University, Kaoshiung 80708, Taiwan, R.O.C","institution_ids":["https://openalex.org/I152743029","https://openalex.org/I25846049"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5109092496","display_name":"San\u2010Yan Chu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I152743029","display_name":"Kaohsiung Medical University","ror":"https://ror.org/03gk81f96","country_code":"TW","type":"education","lineage":["https://openalex.org/I152743029"]},{"id":"https://openalex.org/I25846049","display_name":"National Tsing Hua University","ror":"https://ror.org/00zdnkx70","country_code":"TW","type":"education","lineage":["https://openalex.org/I25846049"]}],"countries":["TW"],"is_corresponding":false,"raw_author_name":"San-Yan Chu","raw_affiliation_strings":["Department of Chemistry, National Tsing Hua University, Hsinchu 30043, Taiwan, R.O.C., and School of Chemistry, Kaoshiung Medical University, Kaoshiung 80708, Taiwan, R.O.C"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, National Tsing Hua University, Hsinchu 30043, Taiwan, R.O.C., and School of Chemistry, Kaoshiung Medical University, Kaoshiung 80708, Taiwan, R.O.C","institution_ids":["https://openalex.org/I152743029","https://openalex.org/I25846049"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":1.0385,"has_fulltext":false,"cited_by_count":22,"citation_normalized_percentile":{"value":0.7172395,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"39","issue":"16","first_page":"3522","last_page":"3525"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.8115000128746033,"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"}},"topics":[{"id":"https://openalex.org/T10807","display_name":"Synthesis and characterization of novel inorganic/organometallic compounds","score":0.8115000128746033,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.18150000274181366,"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/T13253","display_name":"Photolysis and Reactive Intermediates","score":0.002099999925121665,"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/substituent-effects","display_name":"substituent effects","score":0.8489999771118164},{"id":"https://openalex.org/keywords/potential-energy-surface","display_name":"potential energy surface","score":0.9319999814033508},{"id":"https://openalex.org/keywords/singlet-potential-energy-surface","display_name":"singlet potential energy surface","score":0.7179999947547913},{"id":"https://openalex.org/keywords/isomer-stability","display_name":"isomer stability","score":0.6629999876022339},{"id":"https://openalex.org/keywords/thermodynamic-stability","display_name":"thermodynamic stability","score":0.7509999871253967},{"id":"https://openalex.org/keywords/kinetic-stability","display_name":"kinetic stability","score":0.9520000219345093},{"id":"https://openalex.org/keywords/local-minima","display_name":"local minima","score":0.6830000281333923}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9715359807014465},{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.7743403911590576},{"id":"https://openalex.org/C33062035","wikidata":"https://www.wikidata.org/wiki/Q3296863","display_name":"Singlet state","level":3,"score":0.6819340586662292},{"id":"https://openalex.org/C125277925","wikidata":"https://www.wikidata.org/wiki/Q2572687","display_name":"Potential energy surface","level":3,"score":0.594758152961731},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.5450071692466736},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.4863587021827698},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4499533772468567},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.41362935304641724},{"id":"https://openalex.org/C147368240","wikidata":"https://www.wikidata.org/wiki/Q721706","display_name":"Standard enthalpy of formation","level":2,"score":0.4108322262763977},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.23587411642074585},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.13651955127716064},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10761216282844543},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.09527844190597534},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ic991324v","doi":"https://doi.org/10.1021/ic991324v","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ic991324v","pdf_url":null,"source":{"id":"https://openalex.org/S171072222","display_name":"Inorganic Chemistry","issn_l":"0020-1669","issn":["0020-1669","1520-510X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","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":"Inorganic Chemistry","raw_type":"journal-article"},{"id":"pmid:11196810","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11196810","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":"Inorganic chemistry","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":41,"referenced_works":["https://openalex.org/W95621206","https://openalex.org/W1580863239","https://openalex.org/W1591350861","https://openalex.org/W1963688013","https://openalex.org/W1970335536","https://openalex.org/W1976203909","https://openalex.org/W1982054514","https://openalex.org/W1992574380","https://openalex.org/W1994328941","https://openalex.org/W1999784282","https://openalex.org/W2000827056","https://openalex.org/W2008405429","https://openalex.org/W2017858344","https://openalex.org/W2018125808","https://openalex.org/W2019473096","https://openalex.org/W2021090826","https://openalex.org/W2021560546","https://openalex.org/W2023271753","https://openalex.org/W2023895362","https://openalex.org/W2024403549","https://openalex.org/W2031408160","https://openalex.org/W2031856796","https://openalex.org/W2033581379","https://openalex.org/W2035458106","https://openalex.org/W2036690930","https://openalex.org/W2037726697","https://openalex.org/W2042403877","https://openalex.org/W2049996223","https://openalex.org/W2069594336","https://openalex.org/W2086957099","https://openalex.org/W2091398524","https://openalex.org/W2096952818","https://openalex.org/W2113348401","https://openalex.org/W2137325304","https://openalex.org/W2140226655","https://openalex.org/W2143981217","https://openalex.org/W2176415433","https://openalex.org/W2352623196","https://openalex.org/W2949431130","https://openalex.org/W2951390134","https://openalex.org/W4231481616"],"related_works":["https://openalex.org/W2070890554","https://openalex.org/W2014765889","https://openalex.org/W2004559642","https://openalex.org/W2101712562","https://openalex.org/W2040064252","https://openalex.org/W1979965851","https://openalex.org/W2053336834","https://openalex.org/W2089979125","https://openalex.org/W2000827056","https://openalex.org/W2051454246"],"abstract_inverted_index":{"The":[0,31],"effect":[1],"of":[2,9,49],"substitution":[3],"on":[4,42,73],"the":[5,40,43,50,55,74],"potential":[6,45],"energy":[7,46],"surfaces":[8],"HC":[10,58],"identical":[11,59,64],"to":[12,60,65,69],"GeX":[13,61],"(X":[14],"=":[15,37],"H,":[16],"CH3,":[17],"F,":[18],"and":[19,28,62],"Cl)":[20],"were":[21],"explored":[22],"using":[23],"density":[24],"functional":[25],"theory":[26],"(B3LYP)":[27],"QCISD":[29],"methods.":[30],"theoretical":[32],"findings":[33],"suggest":[34],"that":[35],"(H)(X)C":[36],"Ge:":[38],"is":[39],"minimum":[41],"singlet":[44],"surface,":[47,75],"regardless":[48],"substituents":[51],"(X)":[52],"used.":[53],"On":[54],"other":[56],"hand,":[57],"XC":[63],"GeH":[66],"are":[67,78],"found":[68],"be":[70],"local":[71],"minima":[72],"but":[76],"they":[77],"neither":[79],"kinetically":[80],"nor":[81],"thermodynamically":[82],"stable.":[83]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":2},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-09-26T08:19:03.415552","created_date":"2016-06-24T00:00:00"}