{"id":"https://openalex.org/W2022650217","doi":"https://doi.org/10.1016/s0009-2614(97)01116-0","title":"Hybrid quantum and classical mechanical Monte Carlo simulations of the interaction of hydrogen chloride with solid water clusters","display_name":"Hybrid quantum and classical mechanical Monte Carlo simulations of the interaction of hydrogen chloride with solid water clusters","publication_year":1997,"publication_date":"1997-12-01","ids":{"openalex":"https://openalex.org/W2022650217","doi":"https://doi.org/10.1016/s0009-2614(97)01116-0","mag":"2022650217"},"language":"en","primary_location":{"id":"doi:10.1016/s0009-2614(97)01116-0","doi":"https://doi.org/10.1016/s0009-2614(97)01116-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0009-2614(97)01116-0","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","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":"Chemical Physics Letters","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["arxiv","crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/physics/9710042","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5027457760","display_name":"Dario Ariel Estrin","orcid":"https://orcid.org/0000-0002-5006-7225","observed_orcids":["https://orcid.org/0000-0002-5006-7225"]},"institutions":[{"id":"https://openalex.org/I12323705","display_name":"The Abdus Salam International Centre for Theoretical Physics (ICTP)","ror":"https://ror.org/009gyvm78","country_code":"IT","type":"facility","lineage":["https://openalex.org/I12323705","https://openalex.org/I1286959531","https://openalex.org/I1293226324","https://openalex.org/I2801247003"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]}],"countries":["AR","IT"],"is_corresponding":false,"raw_author_name":"Dar\u0131\u0301o A Estrin","raw_affiliation_strings":["Departamento de Qu\u0131\u0301mica Inorg\u00e1nica, Anal\u0131\u0301tica y Qu\u0131\u0301mica-F\u0131\u0301sica e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabell\u00f3n II, 1428, Buenos Aires, Argentina","International Centre for Theoretical Physics, Strada Costiera 11, 34014, Trieste, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u0131\u0301mica Inorg\u00e1nica, Anal\u0131\u0301tica y Qu\u0131\u0301mica-F\u0131\u0301sica e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabell\u00f3n II, 1428, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I24354313"]},{"raw_affiliation_string":"International Centre for Theoretical Physics, Strada Costiera 11, 34014, Trieste, Italy","institution_ids":["https://openalex.org/I12323705"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045373383","display_name":"Jorge Jos\u00e9 Kohanoff","orcid":"https://orcid.org/0000-0002-8237-7543","observed_orcids":["https://orcid.org/0000-0002-8237-7543"]},"institutions":[{"id":"https://openalex.org/I12323705","display_name":"The Abdus Salam International Centre for Theoretical Physics (ICTP)","ror":"https://ror.org/009gyvm78","country_code":"IT","type":"facility","lineage":["https://openalex.org/I12323705","https://openalex.org/I1286959531","https://openalex.org/I1293226324","https://openalex.org/I2801247003"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Jorge Kohanoff","raw_affiliation_strings":["International Centre for Theoretical Physics, Strada Costiera 11, 34014, Trieste, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"International Centre for Theoretical Physics, Strada Costiera 11, 34014, Trieste, Italy","institution_ids":["https://openalex.org/I12323705"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061283205","display_name":"Daniel Lar\u00eda","orcid":"https://orcid.org/0000-0002-4457-6269","observed_orcids":["https://orcid.org/0000-0002-4457-6269"]},"institutions":[{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I9340077","display_name":"Comisi\u00f3n Nacional de Energ\u00eda At\u00f3mica","ror":"https://ror.org/01xz39a70","country_code":"AR","type":"government","lineage":["https://openalex.org/I9340077"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Daniel H Laria","raw_affiliation_strings":["Comisi\u00f3n Nacional de Energ\u0131\u0301a At\u00f3mica, Avenida Libertador 8250, 1429, Buenos Aires, Argentina","Departamento de Qu\u0131\u0301mica Inorg\u00e1nica, Anal\u0131\u0301tica y Qu\u0131\u0301mica-F\u0131\u0301sica e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabell\u00f3n II, 1428, Buenos Aires, Argentina"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Comisi\u00f3n Nacional de Energ\u0131\u0301a At\u00f3mica, Avenida Libertador 8250, 1429, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I9340077"]},{"raw_affiliation_string":"Departamento de Qu\u0131\u0301mica Inorg\u00e1nica, Anal\u0131\u0301tica y Qu\u0131\u0301mica-F\u0131\u0301sica e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabell\u00f3n II, 1428, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I24354313"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028504243","display_name":"Ruben Weht","orcid":"https://orcid.org/0000-0002-3238-8105","observed_orcids":["https://orcid.org/0000-0002-3238-8105"]},"institutions":[{"id":"https://openalex.org/I12323705","display_name":"The Abdus Salam International Centre for Theoretical Physics (ICTP)","ror":"https://ror.org/009gyvm78","country_code":"IT","type":"facility","lineage":["https://openalex.org/I12323705","https://openalex.org/I1286959531","https://openalex.org/I1293226324","https://openalex.org/I2801247003"]},{"id":"https://openalex.org/I9340077","display_name":"Comisi\u00f3n Nacional de Energ\u00eda At\u00f3mica","ror":"https://ror.org/01xz39a70","country_code":"AR","type":"government","lineage":["https://openalex.org/I9340077"]}],"countries":["AR","IT"],"is_corresponding":false,"raw_author_name":"Ruben O Weht","raw_affiliation_strings":["Comisi\u00f3n Nacional de Energ\u0131\u0301a At\u00f3mica, Avenida Libertador 8250, 1429, Buenos Aires, Argentina","International Centre for Theoretical Physics, Strada Costiera 11, 34014, Trieste, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Comisi\u00f3n Nacional de Energ\u0131\u0301a At\u00f3mica, Avenida Libertador 8250, 1429, Buenos Aires, Argentina","institution_ids":["https://openalex.org/I9340077"]},{"raw_affiliation_string":"International Centre for Theoretical Physics, Strada Costiera 11, 34014, Trieste, Italy","institution_ids":["https://openalex.org/I12323705"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3270,"currency":"USD","value_usd":3270},"apc_paid":null,"fwci":4.5765,"has_fulltext":true,"cited_by_count":55,"citation_normalized_percentile":{"value":0.96778031,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":93},"biblio":{"volume":"280","issue":"3-4","first_page":"280","last_page":"286"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.7020999789237976,"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/T12202","display_name":"nanoparticles nucleation surface interactions","score":0.7020999789237976,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.1906999945640564,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.05400000140070915,"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/hydrogen-chloride","display_name":"hydrogen chloride","score":0.9729999899864197},{"id":"https://openalex.org/keywords/water-clusters","display_name":"water clusters","score":0.8690000176429749},{"id":"https://openalex.org/keywords/hcl-dissociation","display_name":"HCl dissociation","score":0.6269999742507935},{"id":"https://openalex.org/keywords/ionization","display_name":"ionization","score":0.6000000238418579},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"density functional theory","score":0.7730000019073486},{"id":"https://openalex.org/keywords/classical-force-fields","display_name":"classical force fields","score":0.7950000166893005},{"id":"https://openalex.org/keywords/amorphous-ice","display_name":"amorphous ice","score":0.7049999833106995},{"id":"https://openalex.org/keywords/ice-surfaces","display_name":"ice surfaces","score":0.35899999737739563},{"id":"https://openalex.org/keywords/local-melting","display_name":"local melting","score":0.7300000190734863}],"concepts":[{"id":"https://openalex.org/C102931765","wikidata":"https://www.wikidata.org/wiki/Q189673","display_name":"Dissociation (chemistry)","level":2,"score":0.7757115364074707},{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.6824671030044556},{"id":"https://openalex.org/C16016025","wikidata":"https://www.wikidata.org/wiki/Q3861408","display_name":"Quantum Monte Carlo","level":3,"score":0.5763389468193054},{"id":"https://openalex.org/C198291218","wikidata":"https://www.wikidata.org/wiki/Q190382","display_name":"Ionization","level":3,"score":0.5636001229286194},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.5404272079467773},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5368908047676086},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5204027891159058},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.4994983673095703},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4790245592594147},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4490528702735901},{"id":"https://openalex.org/C56052488","wikidata":"https://www.wikidata.org/wiki/Q103382","display_name":"Amorphous solid","level":2,"score":0.4290013313293457},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.3879980444908142},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3783826231956482},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.36937659978866577},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.32253724336624146},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3120601773262024},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.28296104073524475},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.13868758082389832},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.09304243326187134},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"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/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1016/s0009-2614(97)01116-0","doi":"https://doi.org/10.1016/s0009-2614(97)01116-0","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0009-2614(97)01116-0","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","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":"Chemical Physics Letters","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:physics/9710042","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/physics/9710042","pdf_url":"https://arxiv.org/pdf/physics/9710042","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"pmh:oai:cds.cern.ch:337868","doi":null,"is_oa":false,"landing_page_url":"http://cds.cern.ch/record/337868","pdf_url":null,"source":{"id":"https://openalex.org/S4306402195","display_name":"CERN Document Server (European Organization for Nuclear Research)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I67311998","host_organization_name":"European Organization for Nuclear Research","host_organization_lineage":["https://openalex.org/I67311998"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":null},{"id":"doi:10.48550/arxiv.physics/9710042","doi":"https://doi.org/10.48550/arxiv.physics/9710042","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.physics/9710042","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:physics/9710042","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/physics/9710042","pdf_url":"https://arxiv.org/pdf/physics/9710042","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320320894","display_name":"Abdus Salam International Centre for Theoretical Physics","ror":"https://ror.org/009gyvm78"},{"id":"https://openalex.org/F4320323257","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2022650217.pdf","grobid_xml":"https://content.openalex.org/works/W2022650217.grobid-xml"},"referenced_works_count":27,"referenced_works":["https://openalex.org/W33492437","https://openalex.org/W1970653515","https://openalex.org/W1976499671","https://openalex.org/W1979981974","https://openalex.org/W1991311859","https://openalex.org/W1999145659","https://openalex.org/W2000060096","https://openalex.org/W2003828025","https://openalex.org/W2014936180","https://openalex.org/W2030687437","https://openalex.org/W2032149435","https://openalex.org/W2035918596","https://openalex.org/W2038533471","https://openalex.org/W2039035988","https://openalex.org/W2043858812","https://openalex.org/W2045203576","https://openalex.org/W2046002177","https://openalex.org/W2053248310","https://openalex.org/W2056760934","https://openalex.org/W2070218050","https://openalex.org/W2086957099","https://openalex.org/W2088162927","https://openalex.org/W2230728100","https://openalex.org/W2281587814","https://openalex.org/W2330309219","https://openalex.org/W2613553297","https://openalex.org/W3036723969"],"related_works":["https://openalex.org/W2032149435","https://openalex.org/W2027545656","https://openalex.org/W2019202793","https://openalex.org/W2321778766","https://openalex.org/W2095007126","https://openalex.org/W2011960989","https://openalex.org/W2144925083","https://openalex.org/W4390562908","https://openalex.org/W2047893266","https://openalex.org/W1693723719"],"abstract_inverted_index":null,"counts_by_year":[{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2016-06-24T00:00:00"}
