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发表SCI收录论文40余篇。
1.MeiHu,WenwuXu,XinguoLiu*,RuishanTan,HongZhengLi,Time-dependentquantumwavepacketstudyoftheAr+H2+→ArH++Hreactiononanewabinitiopotentialenergysurfaceforthegroundelectronicstate(12A′)，JournalofChemicalPhysics.V138，Issue18,174305-1-7,2013.
2.JingSu,XinguoLiu*,ShaolongZhang,FangfangYan,QinggangZhang,JianzhongChen,Atheoreticalinsightintoselectivityofinhibitorstowardtwodomainsofbromodomain-containingprotein4usingmoleculardynamicssimulations,ChemicalBiology&DrugDesign,Vol.91:828–840,2018.
3.JingSu,XinguoLiu*,ShaolongZhang,FangfangYan,QinggangZhang,JianzhongChen,AcomputationalinsightintobindingmodesofinhibitorsXD29,XD35,andXD28tobromodomaincontainingprotein4basedonmoleculardynamicssimulations,JournalofBiomolecularStructureandDynamics,Vol.36,No.5,1212–1224,2018.
4.ChangjianXie,XinguoLiu,BrendanC.Sweeny,ThomasM.Miller,ShaunG.Ard,NicholasS.Shuman,AlbertA.ViggianoandHuaGuo,Probingtherate-determiningregionofthepotentialenergysurfaceforaprototypicalion–moleculereaction,Phil.Trans.R.Soc.AVol.376,Issue2115,20170146,2018.
5.FangfangYan,XinguoLiu*,JingSu,ShaolongZhang,QinggangZhang,JianzhongChen,Computationalrevelationofbindingmechanismsofinhibitorstoendocellularproteintyrosinephosphatase1Busingmoleculardynamicssimulations,JournalofBiomolecularStructureandDynamics,2018（Inpress）http://dx.doi.org/10.1080/07391102.2017.1394221
6.XinguoLiu*,ChangjianXie,HuaGuo,Anewpotentialenergysurfaceandstate-to-statequantumdynamicsoftheLi+HF→H+LiFreaction,ChemicalPhysics,2018(Inpress)https://doi.org/10.1016/j.chemphys.2018.01.023
7.ChangjianXie,XinguoLiu,HuaGuo,State-to-statequantumdynamicsoftheH+LiF→Li+HFreactiononanaccurateabinitiopotentialenergysurface,ChemicalPhysics,2018(Inpress)https://doi.org/10.1016/j.chemphys.2018.04.012
8.XinguoLiu*,HuirongLiu,QinggangZhang，AnabinitiopotentialenergysurfaceanddynamicsoftheAr+H2+→ArH++Hreaction,ChemicalPhysicsLetter.Vol.507，No.1-3，24-28，2011.
9.WenwuXu,XinguoLiu*,ShixiaLuan,QinggangZhang,PeiyuZhang,AnabinitiopotentialenergysurfaceoftheHe+H2+-àHeH++Hreaction,ChemicalPhysicsLetter，Vol.464，No.1-3，92-96，2008.
10.WenwuXu,XinguoLiu*，QinggangZhang,TheoreticalstudyofthestereodynamicsoftheHe+H2+àHeH++Hreaction,MolecularPhysics,Vol.106，No.14，1787–1792，2008.
11.WenwuXu,XinguoLiu*,ShixiaLuan,QinggangZhang，TheoreticalstudyofthestereodynamicsofthereactionsofHe+H2+/HD+，ChemicalPhysics,Vol.355，No.1，21-24，2009.
12.XinguoLiu*,HaoKong,WenwuXu,JingjuanLiang,FujianZong,QinggangZhang，VectorcorrelationintheHe+H2+→HeH++Hreaction:aquasi-classicaltrajectorystudyontwopotentialenergysurfaces，JournalofMolecularStructure:THEOCHEM,Vol.908，No.1-3，117-121，2009.
13.WenwuXu,XinguoLiu*,ShixiaLuan,QinggangZhang，Quasi-classicaltrajectorystudyonHe+H2+/D2+/T2+reactions，InternationalJournalofQuantumChemistry,Vol.110，No.4，860-864，2010.
14.JingjuanLiang,XinguoLiu*,WenwuXu,HaoKong,QinggangZhang，IsotopeeffectonstereodynamicsofthereactionsofH+HeH+/H+HeD+/H+HeT+，JournalofMolecularStructure:THEOCHEM，Vol.942，No.1-3，93-97，2010.
15.JuanjuanLv,XinguoLiu*,JingjuanLiang,HaizhuSun，Theoreticalstudyofthestereo-dynamicsoftheH+HeH+(v=0,j=0)→H2++Hereaction，CanadianJournalofPhysics,Vol.88，No.12，899-904,2010.
16.HuirongLiu,XinguoLiu*,TongZhu,HaizhuSun，QinggangZhang，TheeffectofvibrationalexcitationofthereactionO(3P)+HCl
OH+Clforthe
electronicstates，JournalofTheoreticalandComputationalChemistry,Vol.9，No.6，1043-1052，2010.
17.JiawuChen，XinguoLiu*,QinggangZhang，StereodynamicsstudyoftheO++D2(υ=0,j=0-2)→OD++Dreaction,CanadianJournalofChemistry,Vol.90，No.3，256-261，2012.
18.HongzhengLI，XinguoLiu*,RuishanTan,MeiHu，StereodynamicsStudyofLi+HF→LiF+HReactionsonX
A'PotentialEnergySurfaceatcollisionenergiesbelow5.0kcal/mol,ChinesePhysicsLetter.Vol.32,No.8,083102-1~5,2015.
19.MeiHu，XinguoLiu*,RuishanTan,InfluenceofcollisionenergyandreagentvibrationalexcitationonthestereodynamicsofreactionAr+H2+→ArH++H,ACTAPHYSICASINICA，Vol.63,No.2,023402,2014.
20.RuishanTan,XinguoLiu*,MeiHu,StereodynamicsstudyofLi+HF(v=0—3,j=0)→LiF+Hreaction,ACTAPHYSICASINICAVol.62,No.7,073105-1-9,2013.
21.XinguoLiu*,LianqingZhao,QinggangZhang，ADetailedStudyonstereodynamicsofHe+H2+(v=1,j=1)ReactionwithQuasi-classicalTrajectoryCalculations，ScienceChina(Physics,Mechanics&Astronomy)，Vol.55,No.3,436–442,2012.
22.RuishanTan,XinguoLiu*,MeiHu,StereodynamicsstudyoftheLi+HF/DF/TF→LiF+H/D/TreactionsonX2A′Potentialenergysurface，ChinesePhysicsLetter.Vol.29,No.12,123101-1-5,2012.
23.JiawuChen,XinguoLiu*,HaizhuSun,QinggangZhang,EffectofCollisionEnergyontheReactivityO++T2→OT++TbyQuasiclassicalTrajectoryMethod，ChinesePhysicsLetter.Vol.28,No.9,093101-1-4,2011.
24.HaizhuSun,XinguoLiu*,HuirongLiu,EffectofReagentVibrationalExcitationontheReactionofO＋＋DH(v＝0,1,2,3,j＝0)→OD＋＋H:AQuasi-classicalTrajectoryStudy,ACTACHIMICASINICA,Vol.69，No.9，1075-1080,2011.
25.HaizhuSun,XinguoLiu*,JuanjuanLv,HuirongLiu,Quasi-ClassicalTrajectoryStudyonO++DH(v=0,j=0)→OD++HReactionatDifferentCollisionEnergy,ChineseJournalofChemicalPhysics.Vol.23,No.5,521-526,2010.
26.HuirongLiu,XinguoLiu*,HaizhuSun,QinggangZhang,Quasi-ClassicalTrajectoryStudyon
Reactions,ChinesePhysicsLetter.Vol.27，No.10，103101-1-4,2010.
27.TongZhu,GuodongHu,JianzhongChen,XinguoLiu,QinggangZhang,TheoreticalstudyofstereodynamicsforreactionO(3P)+HCl,ChinesePhysicsB,Vol.19,No.8,083402-1-6,2010.
28.XinguoLiu*,WenwuXu,QinggangZhang，AnabinitioPotentialEnergySurfaceandQuasi-ClassicalTrajectoryStudyforH-+H2，SCIENTIASINICAPhys,Mech&Astron，Vol.40，No.7，886-890,2010.
29.XinguoLiu*,HaizhuSun，HuirongLiu,QinggangZhang，StereodynamicsstudyofO++H2reactionanditsisotopicvariants，ACTAPHYSICASINICA，Vol.59，No.11,7796-7802,2010.
30.GuodongHu，DunyouWang，XinguoLiu,QinggangZhang，AcomputationalanalysisofthebindingmodelofMDM2withinhibitors，Journalcomputer-aidedmoleculardesign，Vol.24，No.8，687-697,2010.
31.JianzhongChen,ShaolongZhang,XinguoLiu,QinggangZhang,InsightsintoDrugResistanceofMutationsD30NandI50VtoHIV-1ProteaseInhibitorTMC-114:FreeEnergyCalculationandMolecularDynamicSimulation，Journalofmolecularmodeling，Vol.16，No.3，459-468，2010.
32.HaoKong,XinguoLiu*,WenwuXu,QinggangZhang,AQuasi-classicalTrajectoryStudyontheEffectofReagentVibrationalExcitationontheReactionofHe+H2+→HeH++H),ACTAPHYSICO-CHIMICASINICA，Vol.25，No.5，935-940，2009.
33.HaoKong,XinguoLiu*,WenwuXu,JingjuanLiang,QinggangZhang,StereodynamicsstudyofthereactionsofHe+H2+anditsisotopicvariants)，ACTAPHYSICASINICA，Vol.58，No.10，6926-6931，2009.
34.HaoKong,XinguoLiu*,WenwuXu,QinggangZhang,StereodynamicsoftheHe+D2+→HeD++DReactiononthePALMIERISurface，ChinesePhysicsLetter,Vol.26，No.5，053102-1-4，2009.
35.WenwuXu,XinguoLiu*,ShixiaLuan,ShanshuSun,QinggangZhang，TheoreticalstudyofthestereodynamicsoftheHe+HD+reaction，ChinesePhysicsB,Vol.18,No1,339-343，2009.
36.QingtianMeng,XinguoLiu,QinggangZhang,KeliHan,Time-dependentwavepacketapproachtotheinfluenceofintensefieldsonthepopulationofmolecularexcitedstates,ChemicalPhysics,Vol.316(1)，93-98,2005.
37.HaoLi,XinguoLiu,QinggangZhang，StereodynamicsandrovibrationaleffectforH+NH3->NH2+H2reaction,ChinesePhysicsLetter，Vol.22，No.5，1093-1096,2005.
38.XinguoLiu*,QinggangZhang,YiciZhang,MingliangWang,ZenghuiJohnZhang，Time-DependentQuantumDynamicsstudyforReactionofD+CH4
CH3+HD，ChinesePhysics，Vol.13，No.7，1013-1017,2004.
39.XinguoLiu*,LihuaBai,QinggangZhang，SemirigidvibratingrotortargetcalculationforreactionO(3P)+CH4→CH3+OH，ScienceinChina(G)，Vol.47，No.2，223-230,2004.
40.XinguoLiu*,QinggangZhang,Time-dependentWavePacketTheoreticalStudyforD+CH4ReactionWithSVRTmodel,ACTAPHYSICO-CHIMICASINICA，Vol.20，No.5，468-471,2004.
41.LihuaBai,XinguoLiu,QinggangZhang,Four-dimensionalquantumscatteringcalculationsontheD+CD4→CD3+D2reaction,ACTAPHYSICASINICA,Vol.52，No.11，2774-2780,2003.
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