{"id":"https://openalex.org/W2134297233","doi":"https://doi.org/10.1002/jcc.21098","title":"Implementation of dynamical nucleation theory with quantum potentials","display_name":"Implementation of dynamical nucleation theory with quantum potentials","publication_year":2008,"publication_date":"2008-08-18","ids":{"openalex":"https://openalex.org/W2134297233","doi":"https://doi.org/10.1002/jcc.21098","mag":"2134297233","pmid":"https://pubmed.ncbi.nlm.nih.gov/18711716"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.21098","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.21098","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"type":"article","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/A5081673222","display_name":"Lonnie D. Crosby","orcid":"https://orcid.org/0000-0003-4283-4137"},"institutions":[{"id":"https://openalex.org/I2802789608","display_name":"Ames National Laboratory","ror":"https://ror.org/041m9xr71","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I173911158","https://openalex.org/I2802789608","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I173911158","display_name":"Iowa State University","ror":"https://ror.org/04rswrd78","country_code":"US","type":"education","lineage":["https://openalex.org/I173911158"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lonnie D. Crosby","raw_affiliation_strings":["Department of Chemistry, Iowa State University and Ames Laboratory, Ames, Iowa, USA","Department of Chemistry, Iowa State University and Ames Laboratory, Ames, Iowa"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Iowa State University and Ames Laboratory, Ames, Iowa, USA","institution_ids":[]},{"raw_affiliation_string":"Department of Chemistry, Iowa State University and Ames Laboratory, Ames, Iowa","institution_ids":["https://openalex.org/I173911158","https://openalex.org/I2802789608"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026636847","display_name":"Shawn M. Kathmann","orcid":"https://orcid.org/0000-0002-9965-8261"},"institutions":[{"id":"https://openalex.org/I142606810","display_name":"Pacific Northwest National Laboratory","ror":"https://ror.org/05h992307","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I2801280572","display_name":"Environmental Molecular Sciences Laboratory","ror":"https://ror.org/04rc0xn13","country_code":"US","type":"facility","lineage":["https://openalex.org/I1325736334","https://openalex.org/I1330989302","https://openalex.org/I142606810","https://openalex.org/I2801280572","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I4210139016","display_name":"Material Sciences (United States)","ror":"https://ror.org/046v9f126","country_code":"US","type":"company","lineage":["https://openalex.org/I4210139016"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shawn M. Kathmann","raw_affiliation_strings":["Chemical and Material Sciences Division, Molecular Interactions and Transformations Group, Pacific Northwest National Laboratory, Richland, Washington"],"affiliations":[{"raw_affiliation_string":"Chemical and Material Sciences Division, Molecular Interactions and Transformations Group, Pacific Northwest National Laboratory, Richland, Washington","institution_ids":["https://openalex.org/I2801280572","https://openalex.org/I4210139016","https://openalex.org/I142606810"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5081731526","display_name":"Theresa L. Windus","orcid":"https://orcid.org/0000-0001-6065-3167"},"institutions":[{"id":"https://openalex.org/I173911158","display_name":"Iowa State University","ror":"https://ror.org/04rswrd78","country_code":"US","type":"education","lineage":["https://openalex.org/I173911158"]},{"id":"https://openalex.org/I2802789608","display_name":"Ames National Laboratory","ror":"https://ror.org/041m9xr71","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I173911158","https://openalex.org/I2802789608","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Theresa L. Windus","raw_affiliation_strings":["Department of Chemistry, Iowa State University and Ames Laboratory, Ames, Iowa"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Iowa State University and Ames Laboratory, Ames, Iowa","institution_ids":["https://openalex.org/I173911158","https://openalex.org/I2802789608"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5081731526"],"corresponding_institution_ids":["https://openalex.org/I173911158","https://openalex.org/I2802789608"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":1.1869,"has_fulltext":false,"cited_by_count":7,"citation_normalized_percentile":{"value":0.80068104,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"30","issue":"5","first_page":"743","last_page":"749"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1902","display_name":"Atmospheric Science"},"field":{"id":"https://openalex.org/fields/19","display_name":"Earth and Planetary Sciences"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9997000098228455,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9993000030517578,"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/nucleation","display_name":"Nucleation","score":0.6349508166313171},{"id":"https://openalex.org/keywords/quantum","display_name":"Quantum","score":0.5284245610237122},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.5267781019210815},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3614131808280945},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.33621591329574585},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.16321876645088196}],"concepts":[{"id":"https://openalex.org/C61048295","wikidata":"https://www.wikidata.org/wiki/Q909022","display_name":"Nucleation","level":2,"score":0.6349508166313171},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.5284245610237122},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.5267781019210815},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3614131808280945},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.33621591329574585},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.16321876645088196}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/jcc.21098","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.21098","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},{"id":"pmid:18711716","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/18711716","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":"Journal of computational chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/6","score":0.8199999928474426,"display_name":"Clean water and sanitation"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":36,"referenced_works":["https://openalex.org/W1971063822","https://openalex.org/W1976499671","https://openalex.org/W1978054582","https://openalex.org/W1981719480","https://openalex.org/W1984500880","https://openalex.org/W1984879541","https://openalex.org/W1986713829","https://openalex.org/W1987535968","https://openalex.org/W1989163589","https://openalex.org/W1993077801","https://openalex.org/W1994240164","https://openalex.org/W2000871529","https://openalex.org/W2006477485","https://openalex.org/W2010329110","https://openalex.org/W2015891365","https://openalex.org/W2021558772","https://openalex.org/W2024876603","https://openalex.org/W2025396755","https://openalex.org/W2037709521","https://openalex.org/W2039961750","https://openalex.org/W2041591938","https://openalex.org/W2046412723","https://openalex.org/W2051203581","https://openalex.org/W2056760934","https://openalex.org/W2057078033","https://openalex.org/W2063170749","https://openalex.org/W2069006374","https://openalex.org/W2069021327","https://openalex.org/W2084234683","https://openalex.org/W2094642658","https://openalex.org/W2095760405","https://openalex.org/W2104559955","https://openalex.org/W2164318957","https://openalex.org/W2330918806","https://openalex.org/W4235932525","https://openalex.org/W4240035468"],"related_works":["https://openalex.org/W2935759653","https://openalex.org/W3105167352","https://openalex.org/W54078636","https://openalex.org/W2954470139","https://openalex.org/W1501425562","https://openalex.org/W2902782467","https://openalex.org/W3084825885","https://openalex.org/W2298861036","https://openalex.org/W3148032049","https://openalex.org/W2271181815"],"abstract_inverted_index":{"A":[0,47],"method":[1,59],"is":[2,34,49],"implemented":[3],"within":[4],"the":[5,16,37,52,61,73,82],"context":[6],"of":[7,57],"dynamical":[8],"nucleation":[9],"theory":[10],"in":[11,29],"order":[12,67],"to":[13,39,60,80],"efficiently":[14],"determine":[15,81],"ab":[17,83],"initio":[18,84],"water":[19,62,85],"dimer":[20,86],"evaporation":[21,87],"rate":[22,88],"constant.":[23,89],"The":[24],"drive":[25],"for":[26],"increased":[27],"efficiency":[28],"a":[30],"Monte":[31],"Carlo":[32],"methodology":[33],"established":[35],"by":[36],"need":[38],"use":[40],"relatively":[41],"expensive":[42],"quantum":[43],"mechanical":[44],"interaction":[45],"potentials.":[46],"discussion":[48],"presented":[50],"illustrating":[51],"theory,":[53],"algorithm,":[54],"and":[55,65],"implementation":[56],"this":[58],"dimer.":[63],"Hartree-Fock":[64],"second":[66],"M\u00f8ller-Plesset":[68],"perturbation":[69],"theories":[70],"along":[71],"with":[72],"Dang-Chang":[74],"polarizable":[75],"classical":[76],"potential":[77],"are":[78],"utilized":[79]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2017,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
