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[1]YangZhou,XiaoqiangLiu（共同一作）,WeidongJiang,YuanjieShu,Theoreticalinsightintoreactionmechanismsof2,4-dinitroanisolewithhydroxylradicalsforadvancedoxidationprocesses,Journalofmolecularmodeling,24,2018,44.
[2]XiaoqiangLiu,ChunZhou,HonggangXia,YangZhou,WeidongJiang,Dissipativeparticledynamicssimulationontheself-assemblyoflinearABCtriblockcopolymersunderrigidsphericalconfinements,e-Polymers,17,2017,321-331.
[3]Xiao-QiangLiu,XuHe,Nian-XiangQiu,XinYang,Zhi-YueTian,Mei-JunLi,YingXue,MolecularsimulationofCH4,CO2,H2OandN2moleculesadsorptiononheterogeneoussurfacemodelsofcoal,AppliedSurfaceScience,389,2016,894-905.（引用20次）
[4]Xiao-QiangLiu,Zhi-YueTian,WeiChu,YingXue,CH4,CO2andH2OAdsorptiononnonmetallicatom-decoratedgraphenesurfaces,ActaPhysico-ChimicaSinica,2,2014,251-256.（引用12次）
[5]Xiao-QiangLiu,YingXue,Zhi-YueTian,Jing-JingMo,Nian-XiangQiu,WeiChu,He-PingXie,AdsorptionofCH4onnitrogen-andboron-containingcarbonmodelsofcoalpredictedbydensity-functionaltheory,AppliedSurfaceScience,285,2013,190-197.（引用34次）
[6]Xiao-QiangLiu,LuJin,ChanKyungKim,YingXue,Roleofbifunctionalcatalyst2-pyridoneintheaminolysisofp-nitrophenylacetatewithn-butylamine:Acomputationalstudy,JournalofMolecularCatalysisA:Chemical,355,2012,102-112.（引用10次）
[7]MeijunLi,XiaoqiangLiu,T.G.Wang,WeidongJiang,RonghuiFang,LuYang,YoujunTang,Fractionationofdibenzofuransduringsubsurfacepetroleummigration:Basedonmoleculardynamicssimulationandreservoirgeochemistry,OrganicGeochemistry,115,2018,220-232.
[8]WeidongJiang,BinXu,GuangyinFan,KaimingZhang,ZhenXiang,XiaoqiangLiu,UVLight-AssistedSynthesisofHighlyEfficientPd-BasedCatalystoverNiOforHydrogenationofo-Chloronitrobenzene,Nanomaterials,8,2018,240.
[9]SongGeng,XiaoliSang,XiaoqiangLiu,YiRen,YingXue,AtheoreticalstudyofUV-Visspectrumandantioxidantactivityofchryso-obtusin,JournalofTheoreticalandComputationalChemistry,17,2018,1850015.
[10]杨禄,李美俊,刘晓强,蒋维东,杨程宇,赖洪飞,亢品,甲基二苯并噻吩的吸附性及油藏充注途径示踪机理之Connolly分子表面计算证明,地球化学,2017,367-372.
[11]YangZhou,ZhilinYang,HongYang,ChaoyangZhang,XiaoqiangLiu,ReactionmechanismsofDNTwithhydroxylradicalsforadvancedoxidationprocesses-aDFTstudy,Journalofmolecularmodeling,23,2017,139.
[12]LuYang,MeijunLi,T.G.Wang,XiaoqiangLiu,WeidongJiang,RonghuiFang,HongfeiLai,Phenyldibenzofuransandmethyldibenzofuransinsourcerocksandcrudeoils,andtheirimplicationsformaturityanddepositionalenvironment,Energy&Fuels,31,2017,2513-2523.
[13]LuYang,MeijunLi,XiaoqiangLiu,WeidongJiang,ChengyuYang,HongfeiLai,PinKang,UsingConnollysurfacetocharacterizetheadsorptionofmethyldibenzothiophenes,andtheirchemicalmechanismasmoleculartracerforoilfillingpathways,Geochimica,46,2017,367-372.
[14]BinXu,WeidongJiang,XiaoqiangLiu,FuanLiu,ZhengXiang,Remarkablereactivityofalkoxide/acetato-bridgedbinuclearcopper(II)complexasartificialcarboxylesterase,JournalofBiologicalInorganicChemistry,22,2017,625-635.
[15]YingleLiu,KeZhang,WeidongJiang,YiYang,YanJiang,XiaoqiangLiu,YingXie,JincaiWu,JunjieCai,Xiu-HuaXu,Synthesisof1-difluoroalkylatedisoquinolinesviapalladium-catalyzedradicalcascadedifluoroalkylation-cyclizationofvinylisocyanideswithbromodifluoroaceticderivatives,Chemistry-anAsianJournal,12,2017,568-576.
[16]RonghuiFang,MeijunLi,T.G.Wang,XiaoqiangLiu,YuanYuan,WeidongJiang,DaoweiWang,ShengbaoShi,Trimethyldibenzothiophenes:Moleculartracersforfillingpathwaysinoilreservoir,JournalofPetroleumScienceandEngineering,159,2017,451-460.
[17]YananZhou,WenjingSun,WeiChu,XiaoqiangLiu,FangliJing,YingXue,TheoreticalinsightintotheenhancedCH4desorptionviaH2Oadsorptionondifferentrankcoalsurfaces,JournalofEnergyChemistry,25,2016,677-682.
[18]YiYang,LongXu,SiqiYu,XiaoqiangLiu,YuZhang,DavidA.Vicic,Triphenylphosphine-mediateddeoxygenativereductionofCF3SO2Naanditsapplicationfortrifluoromethylthiolationofaryliodides,Chemistry–AEuropeanJournal,22,2016,858-863.
[19]YingleLiu,KeZhang,YangenHuang,ShenPan,Xiao-QiangLiu,YiYang,YanJiang,Xiu-HuaXu,Synthesisof3-fluoroalkenyl-3-trifluoromethyl-2-oxindolesbythereactionofindoline-2,3-dioneswithdifluoromethylenephosphabetaine,ChemicalCommunications,52,2016,5969-5972.
[20]B.LempertDavid,M.DorofeenkoEkaterina,YuanjieShu,WeidongJiang,ZongkaiWu,KeWang,XiaoqiangLiu,Energeticopportunitiesofsolidcompositepropellantscontainingsomehypotheticfurazano-[3,4-d]-pyridazine-basedderivatives,ChineseJournalofExplosives&Propellants,39,2016,28-34.
[21]WeidongJiang,BinXu,ZhenXiang,XiaoqiangLiu,FuanLiu,PreparationandreactivityofUVlight-reducedPd/α-Fe2O3catalysttowardsthehydrogenationofo-chloronitrobenzene,AppliedCatalysisA:General,520,2016,65-72.
[22]何旭,刘晓强,何冰,王晗光,刘旭东,田之悦,储伟,薛英,煤层气在含Al,Si,P和S煤结构模型上吸附的密度泛函理论研究,高等学校化学学报,36,2015,1786-1793.
[23]DingluWu,WenJiang,XiaoqiangLiu,NianxiangQiu,YingXue,TheoreticalstudyabouteffectsofH2OandNa+onadsorptionofCO2onkaolinitesurfaces,ChemicalResearchinChineseUniversities,32,2015,118-126.
[24]WeiZhu,Xiao-QiangLiu,XiandengHou,JunxianChen,ChanKyungKim,KailaiXu,ModellingofcatalyticallyoxidativedecompositionofcarbontetrachlorideonaZnSnanoclusterusingdensityfunctionaltheory,CatalysisScience&Technology,4,2014,1038-1046.
[25]Ze-qinChen,Xiao-QiangLiu,YingXue,StimulationofN−glycosidetransferindeoxythymidineglycol:mechanismoftheinitialstepinbaseexcisionrepair,JournalofMolecularModeling,20,2014,1-11.
[26]Jing-JingMo,YingXue,Xiao-QiangLiu,Nian-XiangQiu,WeiChu,He-PingXie,QuantumchemicalstudiesonadsorptionofCO2onnitrogen-containingmolecularsegmentmodelsofcoal,SurfaceScience,616,2013,85-92.
[27]ChenghuaZhang,XiaoqiangLiu,YingXue,Ageneralacid–generalbasereactionmechanismforhumanbrainaspartoacylase:AQM/MMstudy,ComputationalandTheoreticalChemistry,980,2012,85-91.
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