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[9].ShuangLiu,Yan-ZhenMa,Yun-FanYang,Song-SongLiu,Yong-QingLi*andYu-ZhiSong*,Excitedstateintramolecularprotontransfermechanismofo-hydroxynaphthylphenanthroimidazole,Chin.Phys.B,2018,27(2):023103.
[10].XuemeiLu,YuchuanZhai,MeixiaZhang,andYuzhiSong*,AtheoreticalstudyontheESPTmechanismforanovelBis-HPBTfluorophore,J.Phys.Org.Chem.,2018:e3821.
[11].WeihuaLin,EnCao,LiqiangZhang,XuefengXu,YuzhiSong,WenjieLiangandMengtaoSun*,Electricallyenhancedhotholedrivenoxidationcatalysisattheinterfaceofaplasmon–excitonhybrid,Nanoscale,2018,10:5482.
[12].LuluZhang,ShoubaoGao,YuzhiSongandQingtianMeng*,ThemanifestationofvibrationalexcitationeffectinreactionsC+SH(v=0–20,j=0)→H+CS,S+CH,J.Phys.B:At.Mol.Opt.Phys.51(2018)065202(13pp).
[13].GaoShoubao,ChenGuomeng,SongYuzhi,MengQingtian,andXuQing*,TheoreticalinsightintotheeffectofcollisionenergyontheS(3P)+SH(X2Π)→S2(X3Σg)+H(2S)reaction,Eur.Phys.J.D(2018)72:16.
[14].Y.Z.Song,Y.Zhang,S.B.Gao,Q.T.Meng,C.K.WangandM.Y.Ballester*,AglobalpotentialenergysurfaceforH2S+(X4A′′)andquasi-classicaltrajectorystudyoftheS+(4S)+H2(X1Σg)reaction,MOLECULARPHYSICS,2018,116(1):129-141.
[15].EnCao,XiaoGuo,LiqiangZhang,YingShi,WeihuaLin,XiaochunLiu,YuruiFang,LiyanZhou,YinghuiSun,YuzhiSong,WenjieLiangandMengtaoSun*,ElectroopticalSynergyonPlasmon-Exciton-CodrivenSurfaceReductionReactions.Adv.Mater.Interfaces.,2017,4(24),1700869.
[16].EnCao,WeihuaLin,MengtaoSun*,WenjieLiang*andYuzhiSong*,Exciton-plasmoncouplinginteractions:fromprincipletoapplications,Nanophotonics,2018,7:145.
[17].XinRen,EnCao,WeihuaLin,YuzhiSong*,WejieLiangandJingangWang*,Recentadvancesinsurfaceplasmon-drivencatalyticreactions,RSCAdv.,2017,7,31189-31203.
[18].Zong-LiangLi*,Xiao-HuaYi,RanLiu,Jun-JieBi,Huan-YanFu,Guang-PingZhang,Yu-ZhiSongandChuan-KuiWang,EffectofH2OAdsorptiononNegativeDifferentialConductanceBehaviorofSingleMolecularJunction,ScientificReport,2017,7,4195.
[19].Lu-LuZhang,Shou-BaoGao,Yu-ZhiSong,Da-GuangYue,Guo-MengChen,andQing-TianMeng*,ThestereodynamicsstudyontheisotopicsubstitutionC+SH(D,T)→H(D,T)+CSreactionsonthenewHCS(X2A’)potentialenergysurface,Can.J.Phys.95:1219–1224(2017).
[20].EnCao;ShuangLiu;Yu-zhiSong*,AccurateTheoreticalStudyofLiSRadicalandItsSinglyChargedCationandAnionintheirGroundElectronicState,Chin.J.Chem.Phys.,2017,30(2),128-134.
[21].JingLi;Chuan-kuiWang;Yu-zhiSong*,Solventeffectsontwo-photonabsorptionofalkyneandalkeneπ-bridgingchromophores,Chin.J.Chem.Phys.,2017,30(1),63.
[22].Y.Z.Song*,L.L.Zhang,E.Cao,Q.T.Meng,andM.Y.Ballester*,AgloballyaccuratepotentialenergysurfaceofHS2(A2A′)andstudiesonthereactiondynamicofH(2S)+S2(a1Δg),TheoreticalChemistryAccounts,2017,136(3):38.
[23].YuanZhang,EnCao,ShoubaoGao,XinHuang,QingtianMengandYuzhiSong*,ExploringthereactiondynamicsofO(3P)+H2+(X2Σg+)→OH+(X3Σ-)+H(2S)reactionwithtime-dependentwavepacketmethod,InternationalJournalofQuantumChemistry,2017,117(7):e25343,p1~p6.
[24].Yu-ZhiSong,Lu-LuZhang,Shou-BaoGao,andQing-TianMeng*,Globallyaccuratepotentialenergysurfacefortheground-stateHCS(Χ2Α′)anditsuseinreactiondynamics,ScientificReport,2016,6,37734(p1~12).
[25].Lu-LuZhang,Yu-ZhiSong*,Shou-BaoGao,Ji-HuaXu,YongZhouandQing-TianMeng*,Accuratetheoreticalstudyonthegroundandfirst-excitedstatesofNa2:potentialenergycurves,spectroscopicparameters,andvibrationalenergylevels.CanadianJournalofPhysics,2016,94(12):1259-1264.区
[26].PANJie,LILi,WANGYunuan,XIUXianwu,WANGChao,SONGYuzhi*,ParticleDensitiesoftheAtmospheric-PressureArgonPlasmasGeneratedbythePulsedDielectricBarrierDischarges,PlasmaScienceandTechnology,2016,18(11):1081-1088.
[27].JiePan*,LiLi,BoChen,YuzhiSong,YuefengZhao,andXianwuXiu,Numericalsimulationofevolutionfeaturesoftheatmospheric-pressureCF4plasmageneratedbythepulseddielectricbarrierdischarge,Eur.Phys.J.D,2016,70:136.
[28].ShoubaoGao,LuluZhang,YuzhiSong,QingtianMeng*,CorioliscouplingeffectsinthereactionH+Li2→LiH+Li:Atime-dependentwavepacketinvestigation,Chem.Phys.Lett.,2016,651,233–237.
[29].Lu-LuZhang,Yu-ZhiSong*,Shou-BaoGao,YuanZhang,Qing-TianMeng*,Accuratedoublemany-bodyexpansionpotentialenergysurfaceofHS2(A2A')byscalingtheexternalcorrelation,Chin.Phys.B,2016,25(5),053101.6
[30].Yu-jinZhang,Wen-jingYang,Jian-zhongFan,Yu-zhiSong,Chuan-kuiWang*,TheoreticalAnalysisonOpticalLimitingPropertiesofNewlySynthesizedGrapheneOxide-PorphyrinComposites,Chin.J.Chem.Phys.,2015,28(3),257.
[31].ShoubaoGao,JingZhang,YuzhiSong,andQing-TianMeng*,CrosssectionsforvibrationalinhibitionatlowcollisionenergiesforthereactionH+Li2(X1Σ+)→Li+LiH(X1Σ+),Eur.Phys.J.D,2015,69,111.6
[32].SongYu-Zhi*,ZhangYuan,ZhangLu-Lu,GaoShou-Bao,MengQing-Tian,GloballyaccurateabinitiobasedpotentialenergysurfaceofH2O+(X4A′′),Chin.Phys.B,2015,24(6),063101.
[33].Lu-LuZhang,JingZhang,Qing-TianMengandYu-ZhiSong*,AccuratepotentialenergycurveandspectroscopicpropertiesofS2(b1Σg)viaextrapolationtothecompletebasissetlimit,PhysicaScripta,2015,90(3),035403.
[34].Li,Yong-Qing,Song,Yu-Zhi*,Varandas,AntónioJoaquimdeCampos,Accurateadiabaticpotentialenergysurfacefor12A′stateofFH2basedonabinitiodataextrapolatedtothecompletebasissetlimit,Eur.Phys.J.D,2015,69(1),22.
[35].ZhangLu-Lu,GaoShou-Bao,MengQing-Tian,SongYu-Zhi*,Accurateabinitio-basedanalyticalpotentialenergyfunctionforS2(a1Δg)viaextrapolationtothecompletebasissetlimit,Chin.Phys.B,2015,24(1),013101.
[36].JingZhang,ShoubaoGao,YuzhiSongandQingtianMeng*,ThequantumdynamicsofthereactionsN+H2(HD,D2)andtheirvibrationalexcitationeffect,Int.J.QuantumChem.,2015,115(4),231.
[37].AsifMahmood,SalahUd-DinKhan,UsmanAliRana,MuhammadRamzanSaeedAshrafJanjuaa,MudassirHussainTahira,MuhammadFaizanNazarandYuzhiSong,EffectofthiopheneringsonUV/visiblespectraandnon-linearoptical(NLO)propertiesoftriphenylaminebaseddyes:aquantumchemicalperspective,JournalofPhysicalOrganicChemistry,2015,28(6),418-422.
[38].ZhangYujin;ZhangQiuyue;SongYuzhi;*WangChuankui,InfluenceofFemtosecondLaserChirponOpticalLimitingandDynamicalTwo-PhotonAbsorptionof4,4'-bis(di-n-butylamino)stilbeneCompounds,ChineseJournalofComputationalPhysics,2015,1,65-74.
[39].GaoSB,SongYZ,MengQT*.EffectofreagentvibrationalexcitationonreactionS(3P)+D2in3A''and3A'states,Comput.Theo.Chem.,2014,1039,15.
[40].SongYZ,JanjuaMRSA*,JamilS,HaroonM,NasirS,NisarS,ZafarA,NawazN,BatoolA,AzizA.TheNLOpropertiesofhybridmaterialsbasedonmolybdate/hexamolybdatederivatives:Atheoreticalperspectiveforelectro-opticmodulation,SyntheticMetals,2014,198,277.
[41].WeiW,GaoSB,SunZP,SongYZ,MengQT*.AtypicalslowreactionH(2S)+S2(X3Σ−g)→SH(X2Π)+S(3P)onanewsurface:Quantumdynamicscalculations,Chin.Phys.B,2014,23(7),073101.
[42].GaoSB,WeiW,ZhengB,SongYZ,MengQT*.DynamicalpropertiesofS(3P) + HDreactionon13A″stateandtheirquantumwavepacketcalculation,Int.J.QuantumChem.,2014,114(11),148.
[43].ZhangYJ,SongYZ,WangCK*,VariationofTwo-PhotonAbsorptionCrossSectionsandOpticalLimitingofCompoundsInducedbyStaticElectricField,Chin.J.Chem.Phys.,2014,3,256.
[44].ZhangYJ,SongYZ,WangCK*,Modulationonopticallimitingandtwo-photonab-sorptionbehaviorofamolecularmediumbytwo-colorultrashortlaserpulses,J.At.Mol.Sci.,2014,5,163.
[45].SongYZ*,LiYQ,GaoSB,MengQT*.Accurateabinitio-basedDMBEpotentialenergysurfaceforHLi2(X2A')viascalingoftheexternalcorrelation,EuropeanPhysicsJournalD,2014,68(1),3.
[46].Y.Q.Li*,Y.Z.Song,P.Song,Y.Z.Li,Y.Ding,M.T.Sun,andF.C.Ma,Abinitio-baseddoublemany-bodyexpansionpotentialenergysurfaceforthefirstexcitedtripletstateoftheammoniamolecule,J.Chem.Phys.,136(19):194705(p1~p8),2012.
[47].Y.Z.SongandA.J.C.Varandas*,AccurateDMBEpotentialenergysurfaceforground-stateHS2basedonabinitiodataextrapolatedtocompletebasissetlimit,J.Phys.Chem.A,115(21):5274-5283,2011.
[48].Y.Z.Song,P.J.S.B.Caridade,andA.J.C.Varandas*,Potentialenergysurfaceforground-stateH2Sviascalingoftheexternalcorrelation,comparisonwithextrapolationtocompletebasissetlimit,anduseinreactiondynamics,J.Phys.Chem.A,113(32):9213-9219,2009.
[49].Y.Z.SongandA.J.C.Varandas*,Accurateabinitiodoublemany-bodyexpansionpotentialenergysurfaceforground-stateH2Sbyextrapolationtothecompletebasissetlimit,J.Chem.Phys.,130(13):134317(p1~p10),2009.
[50].Song,Y.Z,Kinal,A,Caridade,P.J.S.B,Varandas,A.J.C*,Piecuch,P.,Acomparisonofsingle-referencecoupled-clusterandmulti-referenceconfigurationinteractionmethodsforrepresentativecutsoftheH2S(1A')potentialenergysurface,JournalofMolecularStructure:THEOCHEM859(2008)22–29.
[51].SongYZ,LiDM,SongXN,HuangXM,WangCK*,Solventeffectsontwo-photonabsorptioncrosssectionsofanewlysynthesizedpolymerizationinitiator,JournalofMolecularStructure:THEOCHEM772(2006)75–79.
[52].LiuJC,ZhaoK,SongYZ,WangCK*,Dynamicalbehaviorofultra-shortlaserpulseinacascadethree-levelmolecularsystem,ActaPhys.Sin.2006,55(4):1803-1808.
[53].