{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T01:15:19Z","timestamp":1790039719743,"version":"4.0.1"},"reference-count":41,"publisher":"American Chemical Society (ACS)","issue":"20","license":[{"start":{"date-parts":[[2025,5,15]],"date-time":"2025-05-15T00:00:00Z","timestamp":1747267200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100002767","name":"Department of Science and Technology of Hunan Province","doi-asserted-by":"publisher","award":["2024WZ9020"],"award-info":[{"award-number":["2024WZ9020"]}],"id":[{"id":"10.13039\/501100002767","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004735","name":"Natural Science Foundation of Hunan Province","doi-asserted-by":"publisher","award":["2021JJ40519"],"award-info":[{"award-number":["2021JJ40519"]}],"id":[{"id":"10.13039\/501100004735","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100009377","name":"Education Department of Hunan Province","doi-asserted-by":"publisher","award":["21B0750"],"award-info":[{"award-number":["21B0750"]}],"id":[{"id":"10.13039\/100009377","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100009377","name":"Education Department of Hunan Province","doi-asserted-by":"publisher","award":["23B0777"],"award-info":[{"award-number":["23B0777"]}],"id":[{"id":"10.13039\/100009377","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["ACS Omega"],"published-print":{"date-parts":[[2025,5,27]]},"DOI":"10.1021\/acsomega.5c02491","type":"journal-article","created":{"date-parts":[[2025,5,15]],"date-time":"2025-05-15T06:51:51Z","timestamp":1747291911000},"page":"20922-20928","source":"Crossref","is-referenced-by-count":3,"title":["A Case Study Using DFT Calculation Aided Experimental Teaching of Organic Chemistry: Take the Ethyl Acetate Synthesis Experiment as an Example"],"prefix":"10.1021","volume":"10","author":[{"given":"Dongdong","family":"Li","sequence":"first","affiliation":[{"name":"Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds Research and Application, School of Chemistry and Environmental Science","place":["Chenzhou, China"]},{"name":"Xiangnan University","place":["Chenzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiawei","family":"Li","sequence":"additional","affiliation":[{"name":"Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds Research and Application, School of Chemistry and Environmental Science","place":["Chenzhou, China"]},{"name":"Xiangnan University","place":["Chenzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Changzhong","family":"Chen","sequence":"additional","affiliation":[{"name":"Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds Research and Application, School of Chemistry and Environmental Science","place":["Chenzhou, China"]},{"name":"Xiangnan University","place":["Chenzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jun","family":"Chen","sequence":"additional","affiliation":[{"name":"Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds Research and Application, School of Chemistry and Environmental Science","place":["Chenzhou, China"]},{"name":"Xiangnan University","place":["Chenzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5301-069X","authenticated-orcid":true,"given":"Xiaobing","family":"Lan","sequence":"additional","affiliation":[{"name":"Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds Research and Application, School of Chemistry and Environmental Science","place":["Chenzhou, China"]},{"name":"Xiangnan University","place":["Chenzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,5,15]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.3c01127"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.3c00639"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.3c00869"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.2c00902"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.3c00059"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.1c00772"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.9b00401"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.3c00467"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/ed400538p"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ed800146x"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/ed065p604"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.3390\/educsci14101051"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.2c00950"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.2c00313"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/ajoc.202300551"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.202002830"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.202000576"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.orglett.9b03030"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/jo901731t"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.3390\/molecules29174033"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.3390\/molecules29010024"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.2c00935"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.1c00252"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.joc.6b02867"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.5b00815"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ed400531w"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ed400008d"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/ed2008735"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/ed083p1046"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.3c00642"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.3390\/educsci13070759"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.3390\/educsci11070346"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jchemed.0c00968"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/j100096a001"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.456010"},{"key":"ref39\/cit39","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, \u00d6.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, Revision E. 01; Gaussian Inc.: Wallingford CT, 2013."},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/jp810292n"},{"key":"ref41\/cit41","unstructured":"Legault, C. Y. CYLview 1.0b; Universit\u00e9 de Sherbrooke, 2009. http:\/\/www.cylview.org."}],"container-title":["ACS Omega"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.5c02491","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsomega.5c02491","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,5,27]],"date-time":"2025-05-27T08:14:24Z","timestamp":1748333664000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acsomega.5c02491"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,5,15]]},"references-count":41,"journal-issue":{"issue":"20","published-print":{"date-parts":[[2025,5,27]]}},"alternative-id":["10.1021\/acsomega.5c02491"],"URL":"https:\/\/doi.org\/10.1021\/acsomega.5c02491","relation":{},"ISSN":["2470-1343","2470-1343"],"issn-type":[{"value":"2470-1343","type":"print"},{"value":"2470-1343","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,5,15]]}}}