{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,13]],"date-time":"2025-12-13T06:52:06Z","timestamp":1765608726567,"version":"3.37.3"},"reference-count":53,"publisher":"American Chemical Society (ACS)","issue":"6","license":[{"start":{"date-parts":[[2020,4,28]],"date-time":"2020-04-28T00:00:00Z","timestamp":1588032000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,4,28]],"date-time":"2020-04-28T00:00:00Z","timestamp":1588032000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,4,28]],"date-time":"2020-04-28T00:00:00Z","timestamp":1588032000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21472040","21776067"],"award-info":[{"award-number":["21472040","21776067"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Education Department of Hunan Province, China","award":["17A065","19K031"],"award-info":[{"award-number":["17A065","19K031"]}]},{"name":"China Hunan Provincial Science and Technology Department","award":["2020JJ20013"],"award-info":[{"award-number":["2020JJ20013"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2020,6,22]]},"DOI":"10.1021\/acs.jcim.0c00184","type":"journal-article","created":{"date-parts":[[2020,4,28]],"date-time":"2020-04-28T18:17:45Z","timestamp":1588097865000},"page":"3022-3029","source":"Crossref","is-referenced-by-count":11,"title":["Understanding the Contributions of Microscopic Heat Transfer to Thermal Conductivities of Liquid Aldehydes and Ketones by Molecular Dynamics Simulation"],"prefix":"10.1021","volume":"60","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0818-4137","authenticated-orcid":true,"given":"Fan","family":"Yang","sequence":"first","affiliation":[{"name":"School of Chemistry and Chemical Engineering, Key Laboratory of Theoretical Organic Chemistry and Function Molecule of Ministry of Education, Hunan Province College Key Laboratory of QSAR\/QSPR, Hunan Province Key Laboratory of Controllable Preparation and Functional Application of Fine Polymers, Hunan University of Science and Technology, Xiangtan 411201, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7323-5244","authenticated-orcid":true,"given":"Haixia","family":"Lu","sequence":"additional","affiliation":[{"name":"School of Chemistry and Chemical Engineering, Key Laboratory of Theoretical Organic Chemistry and Function Molecule of Ministry of Education, Hunan Province College Key Laboratory of QSAR\/QSPR, Hunan Province Key Laboratory of Controllable Preparation and Functional Application of Fine Polymers, Hunan University of Science and Technology, Xiangtan 411201, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5561-0867","authenticated-orcid":true,"given":"Wanqiang","family":"Liu","sequence":"additional","affiliation":[{"name":"School of Chemistry and Chemical Engineering, Key Laboratory of Theoretical Organic Chemistry and Function Molecule of Ministry of Education, Hunan Province College Key Laboratory of QSAR\/QSPR, Hunan Province Key Laboratory of Controllable Preparation and Functional Application of Fine Polymers, Hunan University of Science and Technology, Xiangtan 411201, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8495-6381","authenticated-orcid":true,"given":"Hu","family":"Zhou","sequence":"additional","affiliation":[{"name":"School of Chemistry and Chemical Engineering, Key Laboratory of Theoretical Organic Chemistry and Function Molecule of Ministry of Education, Hunan Province College Key Laboratory of QSAR\/QSPR, Hunan Province Key Laboratory of Controllable Preparation and Functional Application of Fine Polymers, Hunan University of Science and Technology, Xiangtan 411201, China"}]}],"member":"316","published-online":{"date-parts":[[2020,4,28]]},"reference":[{"volume-title":"Handbook of Thermal Conductivity of Liquids and Gases","year":"1994","author":"Vargaftik N. B.","key":"ref1\/cit1"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1080\/1539445X.2011.599699"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.30919\/esee8c149"},{"key":"ref4\/cit4","volume-title":"Transport Phenomena","author":"Bird R. B.","year":"2002","edition":"2"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.84.085204"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.81.085205"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/pssb.200879659"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.89.155426"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1063\/1.480025"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1063\/1.480338"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1007\/s10765-010-0814-9"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ie990320v"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/ie00067a017"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/0098-1354(90)87059-X"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jced.8b00764"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1080\/1062936X.2019.1695225"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00360"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00193"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00603"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ci4002348"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00772"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1063\/1.481353"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/jp0512255"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/jp073715y"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.fluid.2016.12.019"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.1931668"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.4868438"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1063\/1.3613648"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1063\/1.3578184"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1063\/1.4813505"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.92.094301"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1063\/1.2821963"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.4919313"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1088\/1367-2630\/18\/1\/013028"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9780511535307","volume-title":"Statistical Mechanics of Nonequilibrium Liquids","author":"Evans D. J.","year":"2008","edition":"3"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/ja00086a030"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1080\/00268979400100171"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.59.13707"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1006\/jcph.1995.1039"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2010.12.021"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2011.10.012"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.08.002"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2014.10.068"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2016.10.020"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevE.99.051301"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00252"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.4931597"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.31.1695"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijheatmasstransfer.2018.01.060"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijheatmasstransfer.2016.12.045"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/jp805584d"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.5080432"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/j.polymer.2019.121721"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c00184","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T06:50:25Z","timestamp":1682578225000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.0c00184"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,4,28]]},"references-count":53,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2020,6,22]]}},"alternative-id":["10.1021\/acs.jcim.0c00184"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c00184","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2020,4,28]]}}}