近期论文
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发表论文30多篇，部分重要论文如下：
1.JuanLin,JingHu,Jun-RongZhang,Sheng-YuWang,YongMa,Xiu-NengSong*,ElectronicstructuresandspectralcharacteristicsofthesixC32fullereneisomers,Spectrochim.ActaA(2019)212,180–187.
2.Xiu-NengSong*,JingHu,JuanLin,Sheng-YuWang,Jun-RongZhang,Shu-QiongYang,YongMa*,YongZhou,Chuan-KuiWang,Theoreticalstudyofnanoonion-likefullerenesC20@C80onXPSandNEXAFSspectra,Mol.Phys.(2019)117(6),794-803.
3.YongMa*,Jun-RongZhang,Sheng-YuWang,JingHu,JuanLin,Xiu-NengSong*,DistinguishingthesixstableC36fullereneisomersbymeansofsoftX-rayspectroscopiesatDFTlevel,Mol.Phys.(2019)117(5),635-643.
4.Sheng-YuWang,JingHu,Jun-RongZhang,JuanLin,Xiu-NengSong*,YongMa*,TheoreticalstudiesonstructuresandspectralpropertiesfortwoC86isomersandtheirchlorinatedderivatives,Mol.Phys.(2019)117(4),507-515.
5.JingHu,Xiu-NengSong*,Sheng-YuWang,JuanLin,Jun-RongZhang,YongMa*,Landscapeofs-triazinemoleculeonSi(100)byatheoreticalx-rayphotoelectronspectroscopyandx-rayabsorptionnear-edgestructurespectrastudy,Chin.Phys.B(2018)27,11,113101.
6.YongMa,Sheng-YuWang,JingHu,Jun-RongZhang,JuanLin,Shu-QiongYang,Xiu-NengSong*,IdentificationofFourC40IsomersbyMeansofaTheoreticalXPS/NEXAFSSpectraStudy,J.Phys.Chem.A(2018)122,4750–4755.
7.YongMa,Sheng-YuWang,JingHu,YongZhou,XiunengSong*,Chuan-KuiWang,TheoreticalIdentificationoftheSixStableC84IsomersbytheIR,XPSandNEXAFSSpectra,J.Phys.Chem.A(2018)122,1019-1026.
8.YongMa,Sheng-YuWang,JingHu,Xiu-NengSong*,YongZhou,Chuan-KuiWang,TheoreticalNK-edgeNEXAFSspectroscopystudyforconfigurationofadipolarmoleculeongraphene,Mater.Chem.Phys.(2018)207,309-314.
9.YongMa,ShengyuWang,ZhenLi,WeiHu,ShouzhenJiang,XiunengSong*,ChuankuiWang,TheoreticalandExperimentalStudyofSurface-EnhancedRamanScatteringof4,4'-bipyridineMoleculeonGraphene,J.At.Mol.Sci.(2017)3,127-130.
10.Xiu-NengSong,JingHu,Sheng-YuWang,YongMa*,YongZhou,Chuan-KuiWang,TheoreticalidentificationofsevenC80fullereneisomersbyXPSandNEXAFSspectroscopy,Phys.Chem.Chem.Phys.(2017)19,32647-32654.
11.Xiu-NengSong,Guang-WeiWang,YongMa*,Shou-ZhenJiang,Wei-WeiYue,Chuan-KuiWang,YiLuo*,TheoreticalIdentificationofThreeC66FullereneIsomersandRelatedChlorinatedDerivativesbyX-rayPhotoelectronSpectroscopyandNear-edgeX-rayAbsorptionFineStructureSpectroscopy,J.Phys.Chem.A(2016)120,9932-9940.
12.Guang-WeiWang,YongMa,Xiu-NengSong*,Shou-ZhenJiang,Wei-WeiYue,Chuan-KuiWang,YiLuo*,TheoreticalIsomerIdentificationofThreeC56FullereneandTheirChlorinatedDerivativesbyXPSandNEXAFSSpectra,J.Phys.Chem.C(2016)120(25),13779-13786.
13.SONGXiu-Neng,WANGGuang-Wei,CHANGYan,MAYong*,WANGChuan-kui,TheoreticalStudyonX-RaySpectroscopyof1,1,2,3,4,5-Hexaphenylsilole,ActaPhys.-Chim.Sin.(2016)32(4),943-949.
14.XiunengSong,GuangweiWang,YongMa*,ShouzhenJiang,WeiweiYue,ShicaiXu,ChuankuiWang,DensityfunctionaltheorystudyofNEXAFSspectraof4-methylbenzenethiolmolecule,Chem.Phys.Lett.(2016)645,164-168.
15.GuangweiWang,XiunengSong*,YongMa,ShouzhenJiang,WeiweiYue,ShicaiXu,ChuankuiWang,YiLuo,TheoreticalIdentificationofC34IsomersbyXPSandNEXAFSSpectra,Chem.Phys.Lett.(2016)644,111-116.
16.ZhangYu-Jin,ZhangQiu-Yue,DingHong-Juan,SongXiu-Neng,WangChuan-Kui*,
Responsivemechanismof2-(20-hydroxyphenyl)benzoxazole-basedtwo-photonfluorescentprobesforzincandhydroxideions,Chin.Phys.B(2015)24,023301.
17.YongMa,WeiHu,Xiu-nengSong,Chuan-kuiWang*,DensityFunctionalTheoryStudyonRamanSpectraofRhodamineMoleculesinDifferentForms,Chin.J.Chem.Phys.(2014)27(3),291-296.
18.YongMa,YuejieAi,XiunengSong,ChuankuiWang,YiLuo*,TheequilibriumgeometryofA@C60:Atestcaseforconventionaldensityfunctionaltheory,Chem.Phys.Lett.(2014)591,312-316.
19.XiunengSong,WeijieHua*,YongMa,ChuankuiWang,YiLuo,TheoreticalStudyofCoreExcitationsofFullerene-BasedPolymerSolarCellAcceptors,J.Phys.Chem.C(2012)116,23938-23944.
20.XiunengSong,YongMa,ChuankuiWang,PaulM.Dietrich,WolfgangE.S.Unger,YiLuo*,EffectsofProtonation,HydrogenBondingandPhoto-DamagingonX-RaySpectroscopyoftheAmineTerminalGroupinAminothiolateMonolayers,J.Phys.Chem.C(2012)116,12649-12654.
21.XiunengSong,YongMa,ChuankuiWang,YiLuo*,EnergylandscapeinsidethecageofneutralandchargedN@C60,Chem.Phys.Lett.(2011)517,199-203.
22.Li-LiLin,Xiu-NengSong,YiLuoandChuan-KuiWang*,Formationandelectronictransportpropertiesofbimolecularjunctionsbasedonaromaticcoupling,J.Phys.:Condens.Matter(2010)22,325102.
23.Li-LiLin,Xiu-NengSong,Jian-CaiLeng,Zong-LiangLi,YiLuoandChuan-KuiWang*,Determinationoftheconfigurationofasinglemoleculejunctionbyinelasticelectrontunnelingspectroscopy,J.Phys.Chem.C(2010)114,5199-5202.
24.GAIJia-Xiang,SONGXiu-Neng,WANGChuan-Kui*,Thesubstitutedeffectonelectronictransportpropertiesofbiphenylmoleculardevices,J.At.Mol.Phys.(2010)27,141-144.
25.Jian-CaiLeng,Li-LiLin,Xiu-NengSong,Zong-LiangLi,Chuan-KuiWang*,Orientationofdecanethiolmoleculesinself-assembledmonolayersdeterminedbyinelasticelectrontunnelingspectroscopy,J.Phys.Chem.C(2009)113,18353-18357.
26.Li-LiLin,Jian-CaiLeng,Xiu-NengSong,Zong-LiangLi,YiLuo,Chuan-KuiWang*,EffectofAromaticCouplingonElectronicTransportinBimolecularJunctions,J.Phys.Chem.C(2009)113,14474-14477.
27.Chuan-KuiWang*,BinZou,Xiu-NengSong,Ying-DeLi,Zong-LiangLi,Li-LiLin,Simulationsofinelasticelectrontunnelingspectroscopyofsemifluorinatedhexadecanethioljunctions,Front.Phys.China(2009)4,415-419.
28.JingLi,Yu-PingSun,Zong-LiangLi,Xiu-NengSong,Chuan-KuiWang*,Abinitiostudyofone-photonandtwo-photonabsorptionpropertiesof2,5-bis[4-(2-arylvinyl)phenyl]-1,3,4-oxadiazoles,Chem.Phys.Lett.(2008)464,9-15.
29.JingLi,Xiu-NengSong,Yu-PingSun,Chuan-KuiWang*,Thetheoreticalsimulationfortwo-photonabsorptionpropertiesofnovelA-π-D-π-Atwo-photoncarbazolecompounds,J.Mol.Structure:THEOCHEM(2008)867,53-58.
30.LIURui-Jin,LIZong-Liang,YANXun-Wang,SONGXiu-Neng,WANGChuan-Kui*,Influenceofcontactstructureandelectrodesdistanceontheelectronictransportpropertiesofbis-(4-mercaptophenyl)-ethermolecule,J.At.Mol.Phys.(2008)25,519.
31.ZouBin,LiZong-Liang,SongXiu-Neng,WangChuan-Kui*,SimulationofInelasticElectronTunnelingSpectroscopyonDifferentContactStructuresin4,4’-BiphenyldithiolMolecularJunction,Chin.Phys.Lett.(2008)25,254-257.
32.SONGXiu-neng,MAYong,WANGChuan-kui*,ThestudiesonI-Vcharacteristicsof1,8-octanedithiolmoleculewithdifferentorientationrelatedtometalsurface,J.At.Mol.Phys.(2007)24,947-950.
33.BinZou,Zong-LiangLi,Xiu-NengSong,YiLuo,Chuan-KuiWang*,Effectsoffield-inducedgeometryrelaxationontheelectrontransportpropertiesof4,4’-biphenyldithiolmolecularjunction,Chem.Phys.Lett.(2007)447,69-73.
34.ZOUBin,LIZong-Liang,SONGXiu-Neng,LIULan-Feng,WANGChuan-Kui*,InfluenceoftheDistanceofElectrodesontheInelasticElectronTunnelingSpectraof4,4’biphenyldithiolMolecularDevice,ActaPyhs.-Chim.Sin.(2007)23,1577-1582.
35.Xun-WangYan,Rui-JinLiu,Zong-LiangLi,BinZou,Xiu-NengSong,Chuan-KuiWang*,Thecontactconfigurationdependenceofconductanceof1,4-phenylenediisocyanidemolecularjunction,Chem.Phys.Lett.(2006)429,225-228.
36.Yu-ZhiSong,Dong-MeiLi,Xiu-NengSong,Xiao-MingHuang,Chuan-KuiWang*,Solventeffectsontwo-photonabsorptioncrosssectionsofanewlysynthesizedpolymerizationinitiator,J.Mol.Structure:THEOCHEM(2006)772,75-79.
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