{"id":"https://openalex.org/W1535381664","doi":"https://doi.org/10.1007/978-3-540-24709-8_39","title":"From DFT Cluster Calculations to Molecular Dynamics Simulation of N2 Formation on a Silica Model Surface","display_name":"From DFT Cluster Calculations to Molecular Dynamics Simulation of N2 Formation on a Silica Model Surface","publication_year":2004,"publication_date":"2004-01-01","ids":{"openalex":"https://openalex.org/W1535381664","doi":"https://doi.org/10.1007/978-3-540-24709-8_39","mag":"1535381664"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-540-24709-8_39","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-540-24709-8_39","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"type":"book-chapter","indexed_in":["crossref"],"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/A5024573956","display_name":"M. Cacciatore","orcid":"https://orcid.org/0000-0002-5889-0021"},"institutions":[{"id":"https://openalex.org/I4210112283","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari","ror":"https://ror.org/022hq6c49","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210112283"]},{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]},{"id":"https://openalex.org/I4210117057","display_name":"Institute of Inorganic Methodologies and Plasmas","ror":"https://ror.org/03a0vt050","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210117057","https://openalex.org/I4210155236"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"M. Cacciatore","raw_affiliation_strings":["CNR-IMIP(Sez.Bari), c/o Chemistry Department of University, Via Orabona 4, 70126, Bari, Italy","CNR-IMIP(Sez.Bari), c/o Chemistry Department of University"],"affiliations":[{"raw_affiliation_string":"CNR-IMIP(Sez.Bari), c/o Chemistry Department of University, Via Orabona 4, 70126, Bari, Italy","institution_ids":["https://openalex.org/I5561750","https://openalex.org/I4210112283"]},{"raw_affiliation_string":"CNR-IMIP(Sez.Bari), c/o Chemistry Department of University","institution_ids":["https://openalex.org/I4210117057"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053817061","display_name":"Andrea Pieretti","orcid":null},"institutions":[{"id":"https://openalex.org/I4210131708","display_name":"Consortium GARR","ror":"https://ror.org/03x9xd924","country_code":"IT","type":"nonprofit","lineage":["https://openalex.org/I4210131708"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"A. Pieretti","raw_affiliation_strings":["CASPUR, Via dei Tizii 6b, 00185, Roma, Italy","CASPUR"],"affiliations":[{"raw_affiliation_string":"CASPUR, Via dei Tizii 6b, 00185, Roma, Italy","institution_ids":["https://openalex.org/I4210131708"]},{"raw_affiliation_string":"CASPUR","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063418505","display_name":"M. Rutigliano","orcid":"https://orcid.org/0000-0002-2152-0369"},"institutions":[{"id":"https://openalex.org/I4210112283","display_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Bari","ror":"https://ror.org/022hq6c49","country_code":"IT","type":"facility","lineage":["https://openalex.org/I160013858","https://openalex.org/I4210112283"]},{"id":"https://openalex.org/I4210117057","display_name":"Institute of Inorganic Methodologies and Plasmas","ror":"https://ror.org/03a0vt050","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210117057","https://openalex.org/I4210155236"]},{"id":"https://openalex.org/I5561750","display_name":"University of Bari Aldo Moro","ror":"https://ror.org/027ynra39","country_code":"IT","type":"education","lineage":["https://openalex.org/I5561750"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"M. Rutigliano","raw_affiliation_strings":["CNR-IMIP(Sez.Bari), c/o Chemistry Department of University, Via Orabona 4, 70126, Bari, Italy","CNR-IMIP(Sez.Bari), c/o Chemistry Department of University"],"affiliations":[{"raw_affiliation_string":"CNR-IMIP(Sez.Bari), c/o Chemistry Department of University, Via Orabona 4, 70126, Bari, Italy","institution_ids":["https://openalex.org/I5561750","https://openalex.org/I4210112283"]},{"raw_affiliation_string":"CNR-IMIP(Sez.Bari), c/o Chemistry Department of University","institution_ids":["https://openalex.org/I4210117057"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033005482","display_name":"Nico Sanna","orcid":"https://orcid.org/0000-0002-1947-7939"},"institutions":[{"id":"https://openalex.org/I4210131708","display_name":"Consortium GARR","ror":"https://ror.org/03x9xd924","country_code":"IT","type":"nonprofit","lineage":["https://openalex.org/I4210131708"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"N. Sanna","raw_affiliation_strings":["CASPUR, Via dei Tizii 6b, 00185, Roma, Italy","CASPUR"],"affiliations":[{"raw_affiliation_string":"CASPUR, Via dei Tizii 6b, 00185, Roma, Italy","institution_ids":["https://openalex.org/I4210131708"]},{"raw_affiliation_string":"CASPUR","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5024573956"],"corresponding_institution_ids":["https://openalex.org/I4210112283","https://openalex.org/I4210117057","https://openalex.org/I5561750"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":5.4472,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.96345776,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"366","last_page":"373"},"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/T10192","display_name":"Catalytic Processes in Materials Science","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11965","display_name":"Quantum, superfluid, helium dynamics","score":0.998199999332428,"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/semiclassical-physics","display_name":"Semiclassical physics","score":0.8331988453865051},{"id":"https://openalex.org/keywords/cluster","display_name":"Cluster (spacecraft)","score":0.7270421981811523},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6831231117248535},{"id":"https://openalex.org/keywords/adsorption","display_name":"Adsorption","score":0.6583265066146851},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.6121113300323486},{"id":"https://openalex.org/keywords/potential-energy-surface","display_name":"Potential energy surface","score":0.49950289726257324},{"id":"https://openalex.org/keywords/surface","display_name":"Surface (topology)","score":0.48125550150871277},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.46243226528167725},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"Electronic structure","score":0.4460236132144928},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.4414914548397064},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.4367890954017639},{"id":"https://openalex.org/keywords/binding-energy","display_name":"Binding energy","score":0.42463451623916626},{"id":"https://openalex.org/keywords/molecular-physics","display_name":"Molecular physics","score":0.4188113510608673},{"id":"https://openalex.org/keywords/scattering","display_name":"Scattering","score":0.4168490469455719},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.40560346841812134},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.38421720266342163},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3268561363220215},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3202389180660248},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3054077625274658},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.1359708309173584},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.10178038477897644}],"concepts":[{"id":"https://openalex.org/C535169671","wikidata":"https://www.wikidata.org/wiki/Q17080006","display_name":"Semiclassical physics","level":3,"score":0.8331988453865051},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.7270421981811523},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6831231117248535},{"id":"https://openalex.org/C150394285","wikidata":"https://www.wikidata.org/wiki/Q180254","display_name":"Adsorption","level":2,"score":0.6583265066146851},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.6121113300323486},{"id":"https://openalex.org/C125277925","wikidata":"https://www.wikidata.org/wiki/Q2572687","display_name":"Potential energy surface","level":3,"score":0.49950289726257324},{"id":"https://openalex.org/C2776799497","wikidata":"https://www.wikidata.org/wiki/Q484298","display_name":"Surface (topology)","level":2,"score":0.48125550150871277},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.46243226528167725},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.4460236132144928},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.4414914548397064},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.4367890954017639},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.42463451623916626},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.4188113510608673},{"id":"https://openalex.org/C191486275","wikidata":"https://www.wikidata.org/wiki/Q210028","display_name":"Scattering","level":2,"score":0.4168490469455719},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.40560346841812134},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.38421720266342163},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3268561363220215},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3202389180660248},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3054077625274658},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.1359708309173584},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.10178038477897644},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"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/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-540-24709-8_39","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-540-24709-8_39","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":15,"referenced_works":["https://openalex.org/W595728097","https://openalex.org/W1982339561","https://openalex.org/W1993363052","https://openalex.org/W2001206520","https://openalex.org/W2023271753","https://openalex.org/W2037763348","https://openalex.org/W2053262715","https://openalex.org/W2058886792","https://openalex.org/W2059504055","https://openalex.org/W2068617439","https://openalex.org/W2074573088","https://openalex.org/W2143981217","https://openalex.org/W2312578290","https://openalex.org/W2616445765","https://openalex.org/W4246504722"],"related_works":["https://openalex.org/W3014364439","https://openalex.org/W2086640976","https://openalex.org/W2050110591","https://openalex.org/W177192290","https://openalex.org/W2012908234","https://openalex.org/W2041476221","https://openalex.org/W1667991139","https://openalex.org/W1993273103","https://openalex.org/W2044156645","https://openalex.org/W2132068786"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
