{"id":"https://openalex.org/W4210418648","doi":"https://doi.org/10.3390/sym14020249","title":"Potential Energy Surfaces for Noble Gas (Ar, Kr, Xe, Rn)\u2013Propylene Oxide Systems: Analytical Formulation and Binding","display_name":"Potential Energy Surfaces for Noble Gas (Ar, Kr, Xe, Rn)\u2013Propylene Oxide Systems: Analytical Formulation and Binding","publication_year":2022,"publication_date":"2022-01-27","ids":{"openalex":"https://openalex.org/W4210418648","doi":"https://doi.org/10.3390/sym14020249"},"language":"en","primary_location":{"id":"doi:10.3390/sym14020249","is_oa":true,"landing_page_url":"https://doi.org/10.3390/sym14020249","pdf_url":"https://www.mdpi.com/2073-8994/14/2/249/pdf?version=1643270714","source":{"id":"https://openalex.org/S190787756","display_name":"Symmetry","issn_l":"2073-8994","issn":["2073-8994"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Symmetry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2073-8994/14/2/249/pdf?version=1643270714","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5039625812","display_name":"Federico Palazzetti","orcid":"https://orcid.org/0000-0002-1361-0524"},"institutions":[{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Federico Palazzetti","raw_affiliation_strings":["Dipartimento di Chimica, Biologia e Biotecnologie\u2013Universit\u00e0 degli Studi di Perugia, 06123 Perugia, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica, Biologia e Biotecnologie\u2013Universit\u00e0 degli Studi di Perugia, 06123 Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078501286","display_name":"Cecilia Coletti","orcid":"https://orcid.org/0000-0002-3609-290X"},"institutions":[{"id":"https://openalex.org/I39387349","display_name":"University of Chieti-Pescara","ror":"https://ror.org/00qjgza05","country_code":"IT","type":"education","lineage":["https://openalex.org/I39387349"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Cecilia Coletti","raw_affiliation_strings":["Dipartimento di Farmacia, Universit\u00e0 degli Studi \u201cG. D\u2019Annunzio\u201d Chieti-Pescara, 66100 Chieti, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia, Universit\u00e0 degli Studi \u201cG. D\u2019Annunzio\u201d Chieti-Pescara, 66100 Chieti, Italy","institution_ids":["https://openalex.org/I39387349"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023371737","display_name":"Alessandro Marrone","orcid":"https://orcid.org/0000-0002-8311-8172"},"institutions":[{"id":"https://openalex.org/I39387349","display_name":"University of Chieti-Pescara","ror":"https://ror.org/00qjgza05","country_code":"IT","type":"education","lineage":["https://openalex.org/I39387349"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Alessandro Marrone","raw_affiliation_strings":["Dipartimento di Farmacia, Universit\u00e0 degli Studi \u201cG. D\u2019Annunzio\u201d Chieti-Pescara, 66100 Chieti, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Farmacia, Universit\u00e0 degli Studi \u201cG. D\u2019Annunzio\u201d Chieti-Pescara, 66100 Chieti, Italy","institution_ids":["https://openalex.org/I39387349"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075821338","display_name":"Fernando Pirani","orcid":"https://orcid.org/0000-0003-3110-6521"},"institutions":[{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Fernando Pirani","raw_affiliation_strings":["Dipartimento di Chimica, Biologia e Biotecnologie\u2013Universit\u00e0 degli Studi di Perugia, 06123 Perugia, Italy","Dipartimento di Ingegneria Civile ed Ambientale, Universit\u00e0 degli Studi di Perugia, 06215 Perugia, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica, Biologia e Biotecnologie\u2013Universit\u00e0 degli Studi di Perugia, 06123 Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]},{"raw_affiliation_string":"Dipartimento di Ingegneria Civile ed Ambientale, Universit\u00e0 degli Studi di Perugia, 06215 Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5039625812"],"corresponding_institution_ids":["https://openalex.org/I27483092"],"apc_list":{"value":2000,"currency":"CHF","value_usd":2165},"apc_paid":{"value":2000,"currency":"CHF","value_usd":2165},"fwci":0.9128,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.71502534,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"14","issue":"2","first_page":"249","last_page":"249"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9998999834060669,"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"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9998999834060669,"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/T11111","display_name":"Spectroscopy and Laser Applications","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/T11965","display_name":"Quantum, superfluid, helium dynamics","score":0.9991000294685364,"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/propylene-oxide","display_name":"Propylene oxide","score":0.7069078087806702},{"id":"https://openalex.org/keywords/noble-gas","display_name":"Noble gas","score":0.661471962928772},{"id":"https://openalex.org/keywords/diatomic-molecule","display_name":"Diatomic molecule","score":0.6450129151344299},{"id":"https://openalex.org/keywords/potential-energy","display_name":"Potential energy","score":0.5520810484886169},{"id":"https://openalex.org/keywords/binding-energy","display_name":"Binding energy","score":0.5189632773399353},{"id":"https://openalex.org/keywords/isotropy","display_name":"Isotropy","score":0.5008647441864014},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.4971301853656769},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.48690903186798096},{"id":"https://openalex.org/keywords/interaction-energy","display_name":"Interaction energy","score":0.46453577280044556},{"id":"https://openalex.org/keywords/van-der-waals-force","display_name":"van der Waals force","score":0.46054452657699585},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.45324862003326416},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.4029678702354431},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.40287747979164124},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.38632699847221375},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.3630543351173401},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.32709774374961853},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2869907319545746},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.08900478482246399},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.08071678876876831}],"concepts":[{"id":"https://openalex.org/C2777505466","wikidata":"https://www.wikidata.org/wiki/Q727742","display_name":"Propylene oxide","level":5,"score":0.7069078087806702},{"id":"https://openalex.org/C121530826","wikidata":"https://www.wikidata.org/wiki/Q19609","display_name":"Noble gas","level":2,"score":0.661471962928772},{"id":"https://openalex.org/C111806078","wikidata":"https://www.wikidata.org/wiki/Q1751859","display_name":"Diatomic molecule","level":3,"score":0.6450129151344299},{"id":"https://openalex.org/C84551667","wikidata":"https://www.wikidata.org/wiki/Q155640","display_name":"Potential energy","level":2,"score":0.5520810484886169},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.5189632773399353},{"id":"https://openalex.org/C184050105","wikidata":"https://www.wikidata.org/wiki/Q273163","display_name":"Isotropy","level":2,"score":0.5008647441864014},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4971301853656769},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.48690903186798096},{"id":"https://openalex.org/C22499117","wikidata":"https://www.wikidata.org/wiki/Q2253702","display_name":"Interaction energy","level":3,"score":0.46453577280044556},{"id":"https://openalex.org/C126061179","wikidata":"https://www.wikidata.org/wiki/Q189627","display_name":"van der Waals force","level":3,"score":0.46054452657699585},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.45324862003326416},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4029678702354431},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.40287747979164124},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.38632699847221375},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3630543351173401},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.32709774374961853},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2869907319545746},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.08900478482246399},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.08071678876876831},{"id":"https://openalex.org/C15920480","wikidata":"https://www.wikidata.org/wiki/Q421281","display_name":"Copolymer","level":3,"score":0.0},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.0},{"id":"https://openalex.org/C2777801237","wikidata":"https://www.wikidata.org/wiki/Q407473","display_name":"Ethylene oxide","level":4,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.3390/sym14020249","is_oa":true,"landing_page_url":"https://doi.org/10.3390/sym14020249","pdf_url":"https://www.mdpi.com/2073-8994/14/2/249/pdf?version=1643270714","source":{"id":"https://openalex.org/S190787756","display_name":"Symmetry","issn_l":"2073-8994","issn":["2073-8994"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Symmetry","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:a6877676d4cc429f97e69d1a195b49d4","is_oa":true,"landing_page_url":"https://doaj.org/article/a6877676d4cc429f97e69d1a195b49d4","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Symmetry, Vol 14, Iss 2, p 249 (2022)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/sym14020249","is_oa":true,"landing_page_url":"https://doi.org/10.3390/sym14020249","pdf_url":"https://www.mdpi.com/2073-8994/14/2/249/pdf?version=1643270714","source":{"id":"https://openalex.org/S190787756","display_name":"Symmetry","issn_l":"2073-8994","issn":["2073-8994"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Symmetry","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.8899999856948853}],"awards":[{"id":"https://openalex.org/G6667561454","display_name":null,"funder_award_id":"RBSI14U3VF","funder_id":"https://openalex.org/F4320321873","funder_display_name":"Ministero dell\u2019Istruzione, dell\u2019Universit\u00e0 e della Ricerca"}],"funders":[{"id":"https://openalex.org/F4320321873","display_name":"Ministero dell\u2019Istruzione, dell\u2019Universit\u00e0 e della Ricerca","ror":"https://ror.org/0166hxq48"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4210418648.pdf","grobid_xml":"https://content.openalex.org/works/W4210418648.grobid-xml"},"referenced_works_count":40,"referenced_works":["https://openalex.org/W1964017887","https://openalex.org/W1966595389","https://openalex.org/W1975002236","https://openalex.org/W1981014642","https://openalex.org/W1993159871","https://openalex.org/W1998442494","https://openalex.org/W2005432703","https://openalex.org/W2007502740","https://openalex.org/W2011438487","https://openalex.org/W2019105747","https://openalex.org/W2030851021","https://openalex.org/W2034991776","https://openalex.org/W2046634699","https://openalex.org/W2057548274","https://openalex.org/W2058746072","https://openalex.org/W2063150399","https://openalex.org/W2075656894","https://openalex.org/W2081157234","https://openalex.org/W2089133434","https://openalex.org/W2089812278","https://openalex.org/W2092589520","https://openalex.org/W2122556048","https://openalex.org/W2148941593","https://openalex.org/W2155835357","https://openalex.org/W2328386932","https://openalex.org/W2334236775","https://openalex.org/W2401959484","https://openalex.org/W2437618352","https://openalex.org/W2789673262","https://openalex.org/W2789771727","https://openalex.org/W2893863737","https://openalex.org/W2936619825","https://openalex.org/W2971205654","https://openalex.org/W3038081094","https://openalex.org/W3104429163","https://openalex.org/W3126750779","https://openalex.org/W3155229558","https://openalex.org/W3168883461","https://openalex.org/W3216994681","https://openalex.org/W4253751381"],"related_works":["https://openalex.org/W2052844936","https://openalex.org/W2040139964","https://openalex.org/W2187980052","https://openalex.org/W2005089358","https://openalex.org/W2078274232","https://openalex.org/W2089555233","https://openalex.org/W2044479874","https://openalex.org/W2051624733","https://openalex.org/W2786442536","https://openalex.org/W2054323387"],"abstract_inverted_index":{"Multidimensional":[0],"potential":[1,29,103],"energy":[2,30,104],"surfaces":[3],"for":[4],"heavy":[5],"noble":[6,87],"gas\u2013propylene":[7],"oxide":[8,80,149],"systems":[9,22,134],"are":[10,45,106,112],"obtained":[11],"by":[12,78,94,116],"applying":[13],"the":[14,33,38,70,109],"phenomenological":[15],"method":[16],"successfully":[17],"used":[18,56],"to":[19,60,65,125,133,147],"describe":[20],"homologous":[21],"involving":[23,135],"He":[24],"and":[25,69,114,142],"Ne":[26],"atoms.":[27],"Such":[28],"surfaces,":[31,110],"where":[32],"interaction":[34,43],"exclusively":[35],"arises":[36],"from":[37],"anisotropic":[39],"van":[40],"der":[41],"Waals":[42],"components,":[44],"given":[46],"in":[47],"an":[48],"analytical":[49],"form.":[50],"Therefore,":[51],"they":[52],"can":[53],"be":[54],"easily":[55],"as":[57,144,146],"force":[58],"fields":[59],"carry":[61],"out":[62],"molecular":[63],"simulations":[64],"evaluate":[66],"spectroscopic":[67],"features":[68],"dynamical":[71],"selectivity":[72],"of":[73,100],"weakly":[74],"bound":[75],"complexes":[76],"formed":[77],"propylene":[79,136,148],"(a":[81,90],"prototype":[82,91],"chiral":[83],"species)":[84],"with":[85],"a":[86,98],"gas":[88],"atom":[89],"isotropic":[92],"partner)":[93],"two-body":[95],"collisions":[96],"under":[97],"variety":[99],"conditions.":[101],"Several":[102],"minima":[105],"identified":[107],"on":[108],"which":[111],"confirmed":[113],"characterized":[115],"high":[117],"level":[118],"ab":[119],"initio":[120],"calculations.":[121],"The":[122],"next":[123],"step":[124],"further":[126],"generalize":[127],"this":[128],"methodology":[129],"is":[130],"its":[131],"extension":[132],"oxide-diatomic":[137],"molecules":[138],"(as":[139],"H2,":[140],"O2":[141],"N2),":[143],"well":[145],"dimers.":[150]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
