{"id":"https://openalex.org/W2149079168","doi":"https://doi.org/10.1002/(sici)1096-987x(199610)17:13<1564::aid-jcc8>3.0.co;2-q","title":"Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanics","display_name":"Bidirectional molecular dynamics: Interpretation in terms of a modern formulation of classical mechanics","publication_year":1996,"publication_date":"1996-10-01","ids":{"openalex":"https://openalex.org/W2149079168","doi":"https://doi.org/10.1002/(sici)1096-987x(199610)17:13<1564::aid-jcc8>3.0.co;2-q","mag":"2149079168"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(199610)17:13<1564::aid-jcc8>3.0.co;2-q","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199610)17:13<1564::aid-jcc8>3.0.co;2-q","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"],"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/A5055227866","display_name":"Teerakiat Kerdcharoen","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Teerakiat Kerdcharoen","raw_affiliation_strings":["Institute for General, Inorganic, and Theoretical Chemistry, Innrain 52a, A-6020 Innsbruck, Austria"],"affiliations":[{"raw_affiliation_string":"Institute for General, Inorganic, and Theoretical Chemistry, Innrain 52a, A-6020 Innsbruck, Austria","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5028405436","display_name":"Klaus R. Liedl","orcid":"https://orcid.org/0000-0002-0985-2299"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Klaus R. Liedl","raw_affiliation_strings":["Institute for General, Inorganic, and Theoretical Chemistry, Innrain 52a, A-6020 Innsbruck, Austria"],"affiliations":[{"raw_affiliation_string":"Institute for General, Inorganic, and Theoretical Chemistry, Innrain 52a, A-6020 Innsbruck, Austria","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5025375284","display_name":"Bernd M. Rode","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Bernd M. Rode","raw_affiliation_strings":["Institute for General, Inorganic, and Theoretical Chemistry, Innrain 52a, A-6020 Innsbruck, Austria"],"affiliations":[{"raw_affiliation_string":"Institute for General, Inorganic, and Theoretical Chemistry, Innrain 52a, A-6020 Innsbruck, Austria","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5028405436"],"corresponding_institution_ids":[],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.5132,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.65106371,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"17","issue":"13","first_page":"1564","last_page":"1570"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9998000264167786,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9998000264167786,"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/T11965","display_name":"Quantum, superfluid, helium dynamics","score":0.9984999895095825,"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":0.9965000152587891,"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/interpretation","display_name":"Interpretation (philosophy)","score":0.7607409358024597},{"id":"https://openalex.org/keywords/simple","display_name":"Simple (philosophy)","score":0.6577966809272766},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.6535599827766418},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6350184082984924},{"id":"https://openalex.org/keywords/statistical-mechanics","display_name":"Statistical mechanics","score":0.5593793392181396},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.4445191025733948},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4306154251098633},{"id":"https://openalex.org/keywords/classical-mechanics","display_name":"Classical mechanics","score":0.4102400243282318},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.27782320976257324},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.1245398223400116},{"id":"https://openalex.org/keywords/epistemology","display_name":"Epistemology","score":0.06453222036361694},{"id":"https://openalex.org/keywords/philosophy","display_name":"Philosophy","score":0.06350520253181458}],"concepts":[{"id":"https://openalex.org/C527412718","wikidata":"https://www.wikidata.org/wiki/Q855395","display_name":"Interpretation (philosophy)","level":2,"score":0.7607409358024597},{"id":"https://openalex.org/C2780586882","wikidata":"https://www.wikidata.org/wiki/Q7520643","display_name":"Simple (philosophy)","level":2,"score":0.6577966809272766},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.6535599827766418},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6350184082984924},{"id":"https://openalex.org/C99874945","wikidata":"https://www.wikidata.org/wiki/Q188715","display_name":"Statistical mechanics","level":2,"score":0.5593793392181396},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.4445191025733948},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4306154251098633},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.4102400243282318},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.27782320976257324},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.1245398223400116},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.06453222036361694},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.06350520253181458},{"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/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(199610)17:13<1564::aid-jcc8>3.0.co;2-q","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199610)17:13<1564::aid-jcc8>3.0.co;2-q","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"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W4313320911","https://openalex.org/W1585007175","https://openalex.org/W4327743144","https://openalex.org/W2382521049","https://openalex.org/W2607424049","https://openalex.org/W4245077728","https://openalex.org/W4390922876","https://openalex.org/W3183204001","https://openalex.org/W4206302830","https://openalex.org/W2144385241"],"abstract_inverted_index":{"The":[0],"validity":[1],"and":[2,44,48],"applicability":[3],"of":[4,12,19,62],"bidirectional":[5,20],"molecular":[6,21],"dynamics":[7,22],"is":[8,23],"shown":[9],"in":[10,40,42],"terms":[11],"modern":[13],"classical":[14],"mechanics.":[15],"A":[16],"simple":[17],"interpretation":[18,26],"given.":[24],"This":[25],"justifies":[27],"an":[28,34],"easy":[29],"approach":[30],"to":[31,37,49],"start":[32],"from":[33],"equilibrium":[35],"configuration,":[36],"perform":[38],"simulations":[39],"parallel":[41],"\u201cforward\u201d":[43],"\u201cbackward\u201d":[45],"time":[46],"direction,":[47],"combine":[50],"the":[51],"two":[52],"obtained":[53,67],"trajectories":[54],"into":[55],"a":[56],"single":[57],"one":[58],"for":[59,68],"proper":[60],"evaluation":[61],"statistical":[63],"quantities.":[64],"Practical":[65],"results,":[66],"liquid":[69],"ammonia,":[70],"are":[71],"presented.":[72],"\u00a9":[73],"1996":[74],"by":[75],"John":[76],"Wiley":[77],"&":[78],"Sons,":[79],"Inc.":[80]},"counts_by_year":[],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
