{"id":"https://openalex.org/W110876734","doi":null,"title":"\"Big Bang\" in the Undergraduate Chemistry Curriculum via Symbolic Computation","display_name":"\"Big Bang\" in the Undergraduate Chemistry Curriculum via Symbolic Computation","publication_year":2007,"publication_date":"2007-01-01","ids":{"openalex":"https://openalex.org/W110876734","mag":"110876734"},"language":"en","primary_location":{"id":"mag:110876734","doi":null,"is_oa":false,"landing_page_url":"http://icee2007.dei.uc.pt/proceedings/papers/62.pdf","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},"volume":null,"type":"article","is_traditional":true,"indexed_in":[],"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/A5078766436","display_name":"Mihai Scarlete","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I113281461","display_name":"Bishop's University","ror":"https://ror.org/051prj435","country_code":"CA","type":"education","lineage":["https://openalex.org/I113281461"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Mihai Scarlete","raw_affiliation_strings":["Bishop\u2019s University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bishop\u2019s University","institution_ids":["https://openalex.org/I113281461"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057170191","display_name":"Gavin S. Heverly\u2010Coulson","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I113281461","display_name":"Bishop's University","ror":"https://ror.org/051prj435","country_code":"CA","type":"education","lineage":["https://openalex.org/I113281461"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Gavin S. Heverly\u2010Coulson","raw_affiliation_strings":["Bishop\u2019s University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bishop\u2019s University","institution_ids":["https://openalex.org/I113281461"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029839531","display_name":"Amber Findleton","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I113281461","display_name":"Bishop's University","ror":"https://ror.org/051prj435","country_code":"CA","type":"education","lineage":["https://openalex.org/I113281461"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Amber Findleton","raw_affiliation_strings":["Bishop\u2019s University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bishop\u2019s University","institution_ids":["https://openalex.org/I113281461"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5039020794","display_name":"Starr Dostie","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I113281461","display_name":"Bishop's University","ror":"https://ror.org/051prj435","country_code":"CA","type":"education","lineage":["https://openalex.org/I113281461"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Starr Dostie","raw_affiliation_strings":["Bishop\u2019s University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bishop\u2019s University","institution_ids":["https://openalex.org/I113281461"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I113281461"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12327","display_name":"Various Chemistry Research Topics","score":0.9355000257492065,"subfield":{"id":"https://openalex.org/subfields/3304","display_name":"Education"},"field":{"id":"https://openalex.org/fields/33","display_name":"Social Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},"topics":[{"id":"https://openalex.org/T12327","display_name":"Various Chemistry Research Topics","score":0.9355000257492065,"subfield":{"id":"https://openalex.org/subfields/3304","display_name":"Education"},"field":{"id":"https://openalex.org/fields/33","display_name":"Social Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T14097","display_name":"Chemistry Education and Research","score":0.015599999576807022,"subfield":{"id":"https://openalex.org/subfields/3304","display_name":"Education"},"field":{"id":"https://openalex.org/fields/33","display_name":"Social Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T10072","display_name":"Science Education and Pedagogy","score":0.008999999612569809,"subfield":{"id":"https://openalex.org/subfields/3304","display_name":"Education"},"field":{"id":"https://openalex.org/fields/33","display_name":"Social Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/symbolic-computation","display_name":"symbolic computation","score":0.9459999799728394},{"id":"https://openalex.org/keywords/physical-chemistry-education","display_name":"physical chemistry education","score":0.9380000233650208},{"id":"https://openalex.org/keywords/undergraduate-chemistry-curriculum","display_name":"undergraduate chemistry curriculum","score":0.9430000185966492},{"id":"https://openalex.org/keywords/molecular-orbitals","display_name":"molecular orbitals","score":0.6420000195503235},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"molecular dynamics","score":0.8230000138282776},{"id":"https://openalex.org/keywords/thermodynamic-probability","display_name":"thermodynamic probability","score":0.8450000286102295},{"id":"https://openalex.org/keywords/statistical-entropy","display_name":"statistical entropy","score":0.9829999804496765}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6552073955535889},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.577786922454834},{"id":"https://openalex.org/C47177190","wikidata":"https://www.wikidata.org/wiki/Q207137","display_name":"Curriculum","level":2,"score":0.5402997732162476},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.14087718725204468},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.0},{"id":"https://openalex.org/C19417346","wikidata":"https://www.wikidata.org/wiki/Q7922","display_name":"Pedagogy","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"mag:110876734","doi":null,"is_oa":false,"landing_page_url":"http://icee2007.dei.uc.pt/proceedings/papers/62.pdf","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Quality education","id":"https://metadata.un.org/sdg/4","score":0.8278999924659729}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7098510593","https://openalex.org/W2061308829","https://openalex.org/W1988866518","https://openalex.org/W2087939226","https://openalex.org/W2081890297","https://openalex.org/W4416581168","https://openalex.org/W2940575779","https://openalex.org/W1972318738","https://openalex.org/W4293167632","https://openalex.org/W3174548040"],"abstract_inverted_index":{"The":[0,19,133,182,219],"modern":[1],"delivery":[2],"of":[3,12,15,21,26,40,46,86,128,173,190,199,216,225,233],"concepts":[4,54,114,201],"in":[5,50,118,178,210,213],"physical":[6,51,217],"chemistry":[7],"can":[8,72,109,141],"now":[9,73,142],"take":[10],"advantage":[11],"the":[13,22,27,34,38,47,83,87,101,106,119,126,148,164,171,174,179,188,205,211,214,231,234,244],"integration":[14],"symbolic":[16,192],"computation":[17,84,88,193],"engines.":[18],"advancement":[20],"friendly":[23],"user-":[24],"interfaces":[25],"existent":[28],"packages":[29],"open":[30],"to":[31,112],"dedicated":[32],"chemists":[33],"programming":[35],"capacity":[36],"for":[37,44,77],"creation":[39],"precise,":[41],"digital":[42],"definitions":[43],"most":[45],"core":[48],"notions":[49],"chemistry.":[52,218],"Basic":[53],"such":[55],"as":[56,139,228,230],"orbitals,":[57],"molecular":[58],"dynamics,":[59],"vibrational":[60],"reaction":[61],"coordinate,":[62],"Stirling-compliant":[63],"distribution":[64],"models,":[65],"thermodynamic":[66],"probability":[67],"and":[68,122,166],"statistical":[69],"entropy,":[70],"etc.":[71],"be":[74,110,143],"readily":[75],"calculated":[76],"medium-populated":[78],"chemical":[79,200],"systems":[80],"by":[81,152,170],"using":[82],"power":[85,150],"engines,":[89],"rather":[90],"than":[91,239],"only":[92,117,156],"suggested":[93],"via":[94],"pictures":[95],"or":[96],"highly":[97],"approximate":[98],"calculations":[99],"on":[100,135,187],"blackboard.":[102],"As":[103],"a":[104,157,191,197,222],"result,":[105],"undergraduate":[107],"curriculum":[108],"expanded":[111],"include":[113],"previously":[115],"introduced":[116],"graduate":[120],"curriculum,":[121],"even":[123],"subjects":[124],"at":[125],"frontier":[127],"science":[129],"-":[130],"research":[131,167,207],"objects.":[132],"impact":[134],"students":[136],"is":[137,185],"instantaneous,":[138],"they":[140],"equipped":[144],"with":[145,196,204],"tools":[146],"matching":[147],"modelling/computation":[149],"utilized":[151],"high":[153],"calibre":[154],"researchers":[155],"few":[158],"decades":[159],"ago.":[160],"This":[161],"paper":[162],"presents":[163],"pedagogical":[165],"results":[168,208],"obtained":[169],"implementation":[172],"CHEMLOG":[175,183,245],"educational":[176],"system":[177,184],"(under)graduate":[180],"curriculum.":[181],"based":[186],"utilization":[189],"engine":[194],"interfaced":[195],"database":[198],"regularly":[202],"updated":[203],"newest":[206],"reported":[209],"literature":[212],"field":[215],"analysis":[220,232],"covers":[221],"5-year":[223],"period":[224],"classroom-":[226],"delivery,":[227],"well":[229],"online-":[235],"setup":[236],"covering":[237],"more":[238],"one":[240],"million":[241],"requests":[242],"from":[243],"server":[246],"since":[247],"1999.":[248]},"counts_by_year":[],"updated_date":"2026-10-12T09:40:04.860316","created_date":"2016-06-24T00:00:00"}
