{"id":"https://openalex.org/W2041996752","doi":"https://doi.org/10.2474/trol.3.80","title":"A Theoretical Investigation on the Dynamic Behavior of Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase","display_name":"A Theoretical Investigation on the Dynamic Behavior of Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase","publication_year":2008,"publication_date":"2008-01-01","ids":{"openalex":"https://openalex.org/W2041996752","doi":"https://doi.org/10.2474/trol.3.80","mag":"2041996752"},"language":"en","primary_location":{"id":"doi:10.2474/trol.3.80","doi":"https://doi.org/10.2474/trol.3.80","is_oa":true,"landing_page_url":"https://doi.org/10.2474/trol.3.80","pdf_url":"https://www.jstage.jst.go.jp/article/trol/3/2/3_2_80/_pdf","source":{"id":"https://openalex.org/S128050701","display_name":"Tribology online","issn_l":"1881-218X","issn":["1881-218X","1881-2198"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","poland-70","russia-white-list-3"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Tribology Online","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://www.jstage.jst.go.jp/article/trol/3/2/3_2_80/_pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103125816","display_name":"Tasuku Onodera","orcid":"https://orcid.org/0000-0001-9126-5044","observed_orcids":["https://orcid.org/0000-0001-9126-5044"]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Tasuku Onodera","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Yusuke Morita","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Yusuke Morita","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101653504","display_name":"Ai Suzuki","orcid":"https://orcid.org/0000-0003-2527-2785","observed_orcids":["https://orcid.org/0000-0003-2527-2785"]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]},{"id":"https://openalex.org/I4210137853","display_name":"Toyota Motor Corporation (Japan)","ror":"https://ror.org/02zqm6r10","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210125472","https://openalex.org/I4210137853"]},{"id":"https://openalex.org/I4405287282","display_name":"New Industry Creation Hatchery Center, Tohoku University","ror":"https://ror.org/04ps06597","country_code":"JP","type":"facility","lineage":["https://openalex.org/I201537933","https://openalex.org/I4405287282"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Ai Suzuki","raw_affiliation_strings":["New Industry Creation Hatchery Center, Tohoku University","Toyota Motor Corporation"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"New Industry Creation Hatchery Center, Tohoku University","institution_ids":["https://openalex.org/I201537933","https://openalex.org/I4405287282"]},{"raw_affiliation_string":"Toyota Motor Corporation","institution_ids":["https://openalex.org/I4210137853"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002451508","display_name":"Riadh Sahnoun","orcid":"https://orcid.org/0000-0003-1435-2579","observed_orcids":["https://orcid.org/0000-0003-1435-2579"]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Riadh Sahnoun","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060491556","display_name":"Michihisa Koyama","orcid":"https://orcid.org/0000-0003-4347-9923","observed_orcids":["https://orcid.org/0000-0003-4347-9923"]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Michihisa Koyama","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112259340","display_name":"Hideyuki Tsuboi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Hideyuki Tsuboi","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113902290","display_name":"Nozomu Hatakeyama","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Nozomu Hatakeyama","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111379368","display_name":"Akira Endou","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Akira Endou","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026195965","display_name":"Hiromitsu Takaba","orcid":"https://orcid.org/0000-0003-1622-5485","observed_orcids":["https://orcid.org/0000-0003-1622-5485"]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Hiromitsu Takaba","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103584100","display_name":"Carlos Adriel Del Carpio","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Carlos A. Del Carpio","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079425945","display_name":"Momoji Kubo","orcid":"https://orcid.org/0000-0002-3310-1858","observed_orcids":["https://orcid.org/0000-0002-3310-1858"]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Momoji Kubo","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004683126","display_name":"Takatoshi Shinyoshi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210137853","display_name":"Toyota Motor Corporation (Japan)","ror":"https://ror.org/02zqm6r10","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210125472","https://openalex.org/I4210137853"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Takatoshi Shin-yoshi","raw_affiliation_strings":["Toyota Motor Corporation"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Toyota Motor Corporation","institution_ids":["https://openalex.org/I4210137853"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060567423","display_name":"Noriaki Nishino","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210137853","display_name":"Toyota Motor Corporation (Japan)","ror":"https://ror.org/02zqm6r10","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210125472","https://openalex.org/I4210137853"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Noriaki Nishino","raw_affiliation_strings":["Toyota Motor Corporation"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Toyota Motor Corporation","institution_ids":["https://openalex.org/I4210137853"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100637445","display_name":"Atsushi Suzuki","orcid":"https://orcid.org/0000-0002-3027-7110","observed_orcids":["https://orcid.org/0000-0002-3027-7110"]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]},{"id":"https://openalex.org/I4210137853","display_name":"Toyota Motor Corporation (Japan)","ror":"https://ror.org/02zqm6r10","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210125472","https://openalex.org/I4210137853"]},{"id":"https://openalex.org/I4405287282","display_name":"New Industry Creation Hatchery Center, Tohoku University","ror":"https://ror.org/04ps06597","country_code":"JP","type":"facility","lineage":["https://openalex.org/I201537933","https://openalex.org/I4405287282"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Atsushi Suzuki","raw_affiliation_strings":["New Industry Creation Hatchery Center, Tohoku University","Toyota Motor Corporation"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"New Industry Creation Hatchery Center, Tohoku University","institution_ids":["https://openalex.org/I201537933","https://openalex.org/I4405287282"]},{"raw_affiliation_string":"Toyota Motor Corporation","institution_ids":["https://openalex.org/I4210137853"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110733671","display_name":"Akira Miyamoto","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]},{"id":"https://openalex.org/I4405287282","display_name":"New Industry Creation Hatchery Center, Tohoku University","ror":"https://ror.org/04ps06597","country_code":"JP","type":"facility","lineage":["https://openalex.org/I201537933","https://openalex.org/I4405287282"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Akira Miyamoto","raw_affiliation_strings":["Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","New Industry Creation Hatchery Center, Tohoku University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, Graduate School of Engineering, Tohoku University","institution_ids":["https://openalex.org/I201537933"]},{"raw_affiliation_string":"New Industry Creation Hatchery Center, Tohoku University","institution_ids":["https://openalex.org/I201537933","https://openalex.org/I4405287282"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":3.8317,"has_fulltext":true,"cited_by_count":20,"citation_normalized_percentile":{"value":0.91990477,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":87,"max":96},"biblio":{"volume":"3","issue":"2","first_page":"80","last_page":"85"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11557","display_name":"Lubricants and Their Additives","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11557","display_name":"Lubricants and Their Additives","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11138","display_name":"Tribology and Lubrication Engineering","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/2210","display_name":"Mechanical Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10310","display_name":"Corrosion Behavior and Inhibition","score":9.999999747378752e-05,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/molybdenum-dithiocarbamate","display_name":"MoDTC","score":0.9990000128746033},{"id":"https://openalex.org/keywords/linkage-isomerization","display_name":"linkage isomerization","score":0.9549999833106995},{"id":"https://openalex.org/keywords/motor-oil","display_name":"engine oil","score":0.4729999899864197},{"id":"https://openalex.org/keywords/polyalphaolefin","display_name":"polyalphaolefin","score":0.7760000228881836},{"id":"https://openalex.org/keywords/mos2","display_name":"MoS2","score":0.9440000057220459},{"id":"https://openalex.org/keywords/tribological-properties","display_name":"tribological properties","score":0.3959999978542328},{"id":"https://openalex.org/keywords/lubricant-additives","display_name":"lubricant additives","score":0.5879999995231628}],"concepts":[{"id":"https://openalex.org/C2777545050","wikidata":"https://www.wikidata.org/wiki/Q5217682","display_name":"Dithiocarbamate","level":2,"score":0.9156360626220703},{"id":"https://openalex.org/C549387045","wikidata":"https://www.wikidata.org/wiki/Q1053","display_name":"Molybdenum","level":2,"score":0.7857204079627991},{"id":"https://openalex.org/C126661725","wikidata":"https://www.wikidata.org/wiki/Q903420","display_name":"Isomerization","level":3,"score":0.7484431266784668},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7352474927902222},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.6727729439735413},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5673888921737671},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.5520477890968323},{"id":"https://openalex.org/C2780423959","wikidata":"https://www.wikidata.org/wiki/Q424257","display_name":"Molybdenum disulfide","level":2,"score":0.5237786173820496},{"id":"https://openalex.org/C124681953","wikidata":"https://www.wikidata.org/wiki/Q339062","display_name":"Decomposition","level":2,"score":0.4496871531009674},{"id":"https://openalex.org/C65024703","wikidata":"https://www.wikidata.org/wiki/Q373406","display_name":"Reaction mechanism","level":3,"score":0.44384124875068665},{"id":"https://openalex.org/C44280652","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Phase (matter)","level":2,"score":0.4400991201400757},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.43381279706954956},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3340756297111511},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2837209105491638},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.24866458773612976},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.154966801404953},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0897308886051178},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.08213844895362854}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.2474/trol.3.80","doi":"https://doi.org/10.2474/trol.3.80","is_oa":true,"landing_page_url":"https://doi.org/10.2474/trol.3.80","pdf_url":"https://www.jstage.jst.go.jp/article/trol/3/2/3_2_80/_pdf","source":{"id":"https://openalex.org/S128050701","display_name":"Tribology online","issn_l":"1881-218X","issn":["1881-218X","1881-2198"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","poland-70","russia-white-list-3"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Tribology Online","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:a2405701f8164a348b216299dad2e6aa","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/a2405701f8164a348b216299dad2e6aa","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Tribology Online, Vol 3, Iss 2, Pp 80-85 (2008)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.2474/trol.3.80","doi":"https://doi.org/10.2474/trol.3.80","is_oa":true,"landing_page_url":"https://doi.org/10.2474/trol.3.80","pdf_url":"https://www.jstage.jst.go.jp/article/trol/3/2/3_2_80/_pdf","source":{"id":"https://openalex.org/S128050701","display_name":"Tribology online","issn_l":"1881-218X","issn":["1881-218X","1881-2198"],"is_oa":false,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","dongbi-c","jufo-1","poland-70","russia-white-list-3"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Tribology Online","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G6208043502","display_name":"Development of Multi-level Tribology Simulator based on Ultra-accelerated Quantum Chemical Molecular Dynamics","funder_award_id":"20226005","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"}],"funders":[{"id":"https://openalex.org/F4320334764","display_name":"Japan Society for the Promotion of Science","ror":"https://ror.org/00hhkn466"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2041996752.pdf","grobid_xml":"https://content.openalex.org/works/W2041996752.grobid-xml"},"referenced_works_count":14,"referenced_works":["https://openalex.org/W95993928","https://openalex.org/W1991149034","https://openalex.org/W1991570972","https://openalex.org/W1992377693","https://openalex.org/W2003226711","https://openalex.org/W2004479209","https://openalex.org/W2005934636","https://openalex.org/W2018245451","https://openalex.org/W2038533471","https://openalex.org/W2049079467","https://openalex.org/W2055230539","https://openalex.org/W2073316612","https://openalex.org/W2100816704","https://openalex.org/W2323178299"],"related_works":["https://openalex.org/W2963436644","https://openalex.org/W2340612821","https://openalex.org/W3034128186","https://openalex.org/W2330924728","https://openalex.org/W7151286909","https://openalex.org/W3155257066","https://openalex.org/W2410366629","https://openalex.org/W7138883958","https://openalex.org/W4411646188","https://openalex.org/W2630307286"],"abstract_inverted_index":{"We":[0],"investigated":[1],"the":[2,33,38,56,74,88,98,101,115],"decomposition":[3,46,84],"reaction":[4,36,85],"mechanism":[5],"of":[6,37,59,67,87],"a":[7,49,82],"molybdenum":[8,108],"dithiocarbamate":[9],"(MoDTC)":[10],"molecule":[11],"using":[12],"computational":[13],"chemistry":[14],"methods:":[15],"density":[16,27],"functional":[17,28],"theory":[18,29],"and":[19,63,110],"hybrid":[20,50],"quantum":[21,51],"chemical/classical":[22,52],"molecular":[23,53],"dynamics":[24,54],"methods.":[25],"The":[26],"results":[30],"showed":[31],"that":[32],"linkage":[34,57,95],"isomerization":[35],"MoDTC":[39,60,89],"preferentially":[40],"takes":[41],"place":[42],"than":[43],"its":[44,68,94],"direct":[45],"reaction.":[47],"During":[48],"simulation,":[55],"isomer":[58,96],"was":[61,70],"observed":[62,72],"subsequently":[64],"bond":[65],"weakening":[66],"Mo-O":[69],"also":[71],"in":[73,100],"polyalphaolefine":[75],"phase.":[76],"From":[77],"these":[78],"results,":[79],"we":[80],"proposed":[81],"new":[83],"pathway":[86],"molecule:":[90],"it":[91],"first":[92],"forms":[93],"as":[97],"intermediate":[99],"engine":[102],"oil":[103],"phase":[104],"then":[105],"decomposes":[106],"into":[107],"disulfide":[109],"monothiocarbamic":[111],"acid":[112],"molecules":[113],"on":[114],"rubbing":[116],"nascent":[117],"surfaces.":[118]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-24T09:50:30.924529","created_date":"2016-06-24T00:00:00"}