{"id":"https://openalex.org/W4311599577","doi":"https://doi.org/10.22270/ajdhs.v2i4.26","title":"Review on Molecular Modelling in Chemistry Education","display_name":"Review on Molecular Modelling in Chemistry Education","publication_year":2022,"publication_date":"2022-12-15","ids":{"openalex":"https://openalex.org/W4311599577","doi":"https://doi.org/10.22270/ajdhs.v2i4.26"},"language":"en","primary_location":{"id":"doi:10.22270/ajdhs.v2i4.26","doi":"https://doi.org/10.22270/ajdhs.v2i4.26","is_oa":true,"landing_page_url":"https://doi.org/10.22270/ajdhs.v2i4.26","pdf_url":"https://ajdhs.com/index.php/journal/article/download/26/48","source":{"id":"https://openalex.org/S4387284911","display_name":"Asian Journal of Dental and Health Sciences","issn_l":"2834-989X","issn":["2834-989X","2834-9911"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4323972972","host_organization_name":"Society of Pharmaceutical Tecnocrats","host_organization_lineage":["https://openalex.org/P4323972972"],"host_organization_lineage_names":["Society of Pharmaceutical Tecnocrats"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Asian Journal of Dental and Health Sciences","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://ajdhs.com/index.php/journal/article/download/26/48","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5020268025","display_name":"Itendra Singh Rajpoot","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Itendra Singh Rajpoot","raw_affiliation_strings":["Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102512906","display_name":"Hemant Patel","orcid":"https://orcid.org/0009-0006-3676-9454","observed_orcids":["https://orcid.org/0009-0006-3676-9454"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Hemant Patel","raw_affiliation_strings":["Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103756957","display_name":"Rahul Singh Thakur","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Rahul Singh Thakur","raw_affiliation_strings":["Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054393900","display_name":"Basant Khare","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Basant Khare","raw_affiliation_strings":["Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035487959","display_name":"Anushree Jain","orcid":"https://orcid.org/0009-0005-9965-2627","observed_orcids":["https://orcid.org/0009-0005-9965-2627"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Anushree Jain","raw_affiliation_strings":["Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5078492190","display_name":"Prateek Kumar Jain","orcid":"https://orcid.org/0000-0001-9814-5694","observed_orcids":["https://orcid.org/0000-0001-9814-5694"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Prateek Kumar Jain","raw_affiliation_strings":["Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5050805541","display_name":"Bhupendra Singh Thakur","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Bhupendra Singh Thakur","raw_affiliation_strings":["Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Adina College of Pharmacy, ADINA Campus Rd, Lahdara, Sagar, MP, 470001","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.9452,"has_fulltext":true,"cited_by_count":9,"citation_normalized_percentile":{"value":0.78688713,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"2","issue":"4","first_page":"55","last_page":"58"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12327","display_name":"Various Chemistry Research Topics","score":0.9477999806404114,"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":0.9477999806404114,"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":0.021900000050663948,"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":0.007600000128149986,"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/molecular-models","display_name":"molecular models","score":0.9440000057220459},{"id":"https://openalex.org/keywords/amides","display_name":"amides","score":0.7400000095367432},{"id":"https://openalex.org/keywords/electrostatic-potential","display_name":"electrostatic potential","score":0.8960000276565552},{"id":"https://openalex.org/keywords/electron-density-distribution","display_name":"electron density distribution","score":0.9470000267028809},{"id":"https://openalex.org/keywords/visual-learning","display_name":"visual learning","score":0.5189999938011169},{"id":"https://openalex.org/keywords/organic-chemistry-education","display_name":"organic chemistry education","score":0.8270000219345093},{"id":"https://openalex.org/keywords/student-understanding","display_name":"student understanding","score":0.5730000138282776}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7116258144378662},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5242115259170532},{"id":"https://openalex.org/C2778439535","wikidata":"https://www.wikidata.org/wiki/Q188777","display_name":"Amide","level":2,"score":0.5073232054710388},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.46055519580841064},{"id":"https://openalex.org/C204389451","wikidata":"https://www.wikidata.org/wiki/Q178593","display_name":"Macromolecule","level":2,"score":0.4385346472263336},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.43280866742134094},{"id":"https://openalex.org/C22994065","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemistry","level":4,"score":0.4145949184894562},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.2873079180717468},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.14523252844810486},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.22270/ajdhs.v2i4.26","doi":"https://doi.org/10.22270/ajdhs.v2i4.26","is_oa":true,"landing_page_url":"https://doi.org/10.22270/ajdhs.v2i4.26","pdf_url":"https://ajdhs.com/index.php/journal/article/download/26/48","source":{"id":"https://openalex.org/S4387284911","display_name":"Asian Journal of Dental and Health Sciences","issn_l":"2834-989X","issn":["2834-989X","2834-9911"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4323972972","host_organization_name":"Society of Pharmaceutical Tecnocrats","host_organization_lineage":["https://openalex.org/P4323972972"],"host_organization_lineage_names":["Society of Pharmaceutical Tecnocrats"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Asian Journal of Dental and Health Sciences","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.22270/ajdhs.v2i4.26","doi":"https://doi.org/10.22270/ajdhs.v2i4.26","is_oa":true,"landing_page_url":"https://doi.org/10.22270/ajdhs.v2i4.26","pdf_url":"https://ajdhs.com/index.php/journal/article/download/26/48","source":{"id":"https://openalex.org/S4387284911","display_name":"Asian Journal of Dental and Health Sciences","issn_l":"2834-989X","issn":["2834-989X","2834-9911"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4323972972","host_organization_name":"Society of Pharmaceutical Tecnocrats","host_organization_lineage":["https://openalex.org/P4323972972"],"host_organization_lineage_names":["Society of Pharmaceutical Tecnocrats"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Asian Journal of Dental and Health Sciences","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Quality education","id":"https://metadata.un.org/sdg/4","score":0.6164000034332275}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4311599577.pdf","grobid_xml":"https://content.openalex.org/works/W4311599577.grobid-xml"},"referenced_works_count":23,"referenced_works":["https://openalex.org/W14273341","https://openalex.org/W36651064","https://openalex.org/W170472547","https://openalex.org/W1594093454","https://openalex.org/W1992576274","https://openalex.org/W2005970700","https://openalex.org/W2009237553","https://openalex.org/W2017329333","https://openalex.org/W2053791921","https://openalex.org/W2056047196","https://openalex.org/W2058139900","https://openalex.org/W2088075790","https://openalex.org/W2088809308","https://openalex.org/W2102425748","https://openalex.org/W2104364536","https://openalex.org/W2118262111","https://openalex.org/W2128445662","https://openalex.org/W2130912043","https://openalex.org/W2134193571","https://openalex.org/W2161395717","https://openalex.org/W2479919338","https://openalex.org/W2620351003","https://openalex.org/W4312452393"],"related_works":["https://openalex.org/W3007181506","https://openalex.org/W2737488833","https://openalex.org/W236435254","https://openalex.org/W1996290424","https://openalex.org/W1999187784","https://openalex.org/W271332427","https://openalex.org/W3143867262","https://openalex.org/W2044642869","https://openalex.org/W1980530943","https://openalex.org/W4293059326"],"abstract_inverted_index":{"Molecular":[0,238],"models":[1,19,63,118,196],"derived":[2],"from":[3],"results":[4],"of":[5,12,39,67,70,76,85,102,126,130,143,148,191,195,204,211,218,227],"quantum-chemical":[6],"calculations":[7],"present":[8],"an":[9],"important":[10,154,166],"category":[11],"didactic":[13,45,68],"instruments":[14],"in":[15,74,79,104,112,134,164,231],"chemistry":[16,72,200,233],"education.":[17],"These":[18],"can":[20,35],"be":[21],"used":[22],"especially":[23],"as":[24,47,49,214,216],"tools":[25],"for":[26,156],"supporting":[27,232],"the":[28,51,56,83,86,91,95,100,105,113,135,138,144,149,157,189,208,225],"students\u2019":[29],"understanding":[30,203],"by":[31,55],"visual":[32],"learning,":[33],"which":[34],"adequately":[36],"address":[37],"complexity":[38],"many":[40,165],"chemical":[41],"topics,":[42],"incorporate":[43],"appropriate":[44],"principles,":[46],"well":[48,215],"utilize":[50],"benefits":[52],"brought":[53],"up":[54],"actual":[57],"information":[58],"technology.":[59],"The":[60],"proposed":[61],"molecular":[62,117,229],"are":[64,162],"non-trivial":[65],"examples":[66],"application":[69],"computational":[71],"techniques":[73],"illustration":[75],"electron":[77,88,131],"interactions":[78],"amidic":[80,160],"group,":[81],"namely":[82],"interaction":[84,101],"free":[87],"pair":[89],"on":[90,201],"nitrogen":[92],"atom":[93],"with":[94,108],"carbonyl":[96],"group":[97,107],"and":[98,137,146,207,223,235],"also":[99,155],"atoms":[103,111],"amide":[106],"other":[109],"surrounding":[110],"molecule.":[114],"By":[115],"these":[116],"it":[119],"is":[120,153],"possible":[121],"to":[122],"explain":[123],"acid-base":[124],"properties":[125,147],"amides":[127,150],"applying":[128],"knowledge":[129],"density":[132],"distribution":[133],"molecules":[136],"resulting":[139],"electrostatic":[140],"potential.":[141],"Presentation":[142],"structure":[145,210],"within":[151],"education":[152],"reason":[158],"that":[159],"functions":[161],"involved":[163],"natural":[167],"substances":[168,178],"(e.g.":[169,179,184],"proteins,":[170],"peptides,":[171],"nucleic":[172],"acids":[173],"or":[174,181],"alkaloids),":[175],"synthetic":[176],"macromolecular":[177],"Silon)":[180],"pharmaceutical":[182],"preparations":[183],"paracetamol).":[185],"This":[186],"paper":[187],"investigated":[188],"effect":[190],"using":[192],"different":[193],"types":[194],"while":[197],"teaching":[198,234],"organic":[199],"student":[202],"new":[205,212],"concepts":[206],"spatial":[209],"molecules,":[213],"preference":[217],"a":[219],"particular":[220],"model":[221],"type":[222],"illustrates":[224],"possibilities":[226],"computer-assisted":[228],"modelling":[230],"learning.":[236],"Keywords:":[237],"models,":[239],"Acidity,":[240],"Amides,":[241],"Basicity,":[242],"Electrostatic":[243],"potential":[244]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":2}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2022-12-27T00:00:00"}