{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,24]],"date-time":"2025-11-24T10:00:50Z","timestamp":1763978450067,"version":"3.38.0"},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"5","license":[{"start":{"date-parts":[[2025,2,24]],"date-time":"2025-02-24T00:00:00Z","timestamp":1740355200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,2,24]],"date-time":"2025-02-24T00:00:00Z","timestamp":1740355200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,2,24]],"date-time":"2025-02-24T00:00:00Z","timestamp":1740355200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100012906","name":"Department of Education of Shandong Province","doi-asserted-by":"publisher","award":["2024KJH154"],"award-info":[{"award-number":["2024KJH154"]}],"id":[{"id":"10.13039\/100012906","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012226","name":"Fundamental Research Funds for the Central Universities","doi-asserted-by":"publisher","award":["21060904750"],"award-info":[{"award-number":["21060904750"]}],"id":[{"id":"10.13039\/501100012226","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22075278","22305023","22308222"],"award-info":[{"award-number":["22075278","22305023","22308222"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007129","name":"Natural Science Foundation of Shandong Province","doi-asserted-by":"publisher","award":["ZR2023QB300"],"award-info":[{"award-number":["ZR2023QB300"]}],"id":[{"id":"10.13039\/501100007129","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,3,10]]},"DOI":"10.1021\/acs.jcim.5c00084","type":"journal-article","created":{"date-parts":[[2025,2,24]],"date-time":"2025-02-24T13:16:18Z","timestamp":1740402978000},"page":"2592-2601","source":"Crossref","is-referenced-by-count":3,"title":["Theoretical Study on the Key Influence of Ionic Liquid on the Synthesis Method of HMX by DPT"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9480-3223","authenticated-orcid":true,"given":"Fangjian","family":"Shang","sequence":"first","affiliation":[{"name":"College of Aeronautical Engineering","place":["Binzhou, PR China"]},{"name":"Shandong University of Aeronautics","place":["Binzhou, PR China"]}]},{"given":"Huaxin","family":"Liu","sequence":"additional","affiliation":[{"name":"Research Center of Advanced Biological Manufacture, Dalian National Laboratory for Clean Energy","place":["Dalian, PR China"]},{"name":"Dalian Institute of Chemical Physics, Chinese Academy of Sciences","place":["Dalian, PR China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4865-1585","authenticated-orcid":true,"given":"Jianyong","family":"Liu","sequence":"additional","affiliation":[{"name":"Research Center of Advanced Biological Manufacture, Dalian National Laboratory for Clean Energy","place":["Dalian, PR China"]},{"name":"Dalian Institute of Chemical Physics, Chinese Academy of Sciences","place":["Dalian, PR China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3671-1088","authenticated-orcid":true,"given":"Meiheng","family":"Lv","sequence":"additional","affiliation":[{"name":"College of Science","place":["Shenyang, PR China"]},{"name":"Shenyang University of Chemical Technology","place":["Shenyang, PR China"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9786-9359","authenticated-orcid":true,"given":"Yinhua","family":"Ma","sequence":"additional","affiliation":[{"name":"Department of Physics","place":["Dalian, PR China"]},{"name":"Dalian Maritime University","place":["Dalian, PR China"]}]}],"member":"316","published-online":{"date-parts":[[2025,2,24]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/cg3010882"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"495","DOI":"10.1016\/0020-708X(68)90010-0","volume":"19","author":"Thomas C. C.","year":"1968","journal-title":"Int. J. Appl. Radiat. Isot."},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/0039-9140(66)80173-X"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/ja01150a099"},{"key":"ref5\/cit5","first-page":"414","volume":"30","author":"Song H.","year":"2010","journal-title":"Chin. J. Org. Chem."},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.22211\/cejem\/66622"},{"key":"ref7\/cit7","first-page":"2278","volume":"8","author":"El-Azab H.","year":"2019","journal-title":"Inter. Chem. Eng."},{"issue":"2","key":"ref8\/cit8","first-page":"83","volume":"8","author":"He Z.","year":"2011","journal-title":"Eur. J. Energy Mater."},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.5012\/bkcs.2011.32.8.2677"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.reactfunctpolym.2020.104605"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.gce.2020.09.005"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1002\/prep.201700127"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/cssc.201701053"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/poc.3958"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/C8RE00299A"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c11808"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.0c12096"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.4c00529"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2322040121"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1063\/1.1674902"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ct0499783"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/jp810292n"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.452288"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1063\/5.0007045"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2004.12.014"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.54.1703"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.58.3641"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.2770708"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.202427399"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.100.020603"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.112.240602"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2009.05.011"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP05091D"},{"journal-title":"Studies On The Sturcture, Spectrum Of Nitroium And The Electron Tranfer In Aromatic Nitration","year":"2022","author":"Cao Y.","key":"ref40\/cit40"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2012.11.130"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1134\/S0010508219030018"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2021.138834"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.2c02161"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/j.comptc.2022.113895"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.22885"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00084","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00084","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,3,10]],"date-time":"2025-03-10T08:11:42Z","timestamp":1741594302000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c00084"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,2,24]]},"references-count":46,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2025,3,10]]}},"alternative-id":["10.1021\/acs.jcim.5c00084"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c00084","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2025,2,24]]}}}