吉林大学原子与分子物理研究所原子分子物理王志刚教授介绍
主持国家自然科学基金（青年，青年-面上连续资助，重点项目子课题）、国家重大科技专项项目、吉林省中青年科技领军人才及团队项目在内的多个研究课题。所指导的研究生，目前已有1人获得省级优秀硕士学位论文，5人获得国家奖学金，多人获得吉林大学研究生“精英杯”学术成果大奖赛一等奖、二等奖等奖项，多人获得优秀毕业研究生称号。竭诚欢迎有志于相关研究方向的同学加入！
2014年是“复杂分子系统中的相互作用”研究方向的研究组组建第五年，并于此年成立了吉林省“理论分子物理研究创新团队”。在研究组的积极努力下，在广大国际国内同仁的鼓励帮助下，本年度以我研究组为主（吉林大学一作和通讯单位）在国际主流SCI检索期刊被接受或发表论文12篇，其中一半贡献于物理学科，另一半贡献于交叉学科，影响因子大于3.0的11篇。组织国际和国内学术会议各1次，做会议邀请报告3次，研究组参加国际国内学术会议15余人次，发表会议论文10余篇。本年最为重要的研究进展，是发现了贯穿氢键水环的离域分子轨道，从而在单纯的理论研究中明确提出了水团簇氢键的类共价特性。
45.王志刚，“不饱和价电子诱导的限域体系电子结构理论研究”，2014中国物理学会秋季学术会议，2014.09，原子与分子物理分会-邀请报告；
44.王志刚，“复杂分子系统中的电子自旋极化”,第四届全国原子分子光物理青年科学家论坛，2014.10，论坛自由发言报告；
43.WangB.,XinM.S.,DaiX.,SongR.X.,MengY.,HanJ.,JiangW.R.,WangZ.G.*,ZhangR.Q.*,“Electronicdelocalizationinsmallwaterrings”,Phys.Chem.Chem.Phys,2014,DOI:10.1039/C4CP05129G;
42.DaiX.,GaoY.,XinM.S.,WangZ.G.*,ZhouR.H.*,“TheGroundStateandElectronicStructureofGd@C82:ASystematicTheoreticalInvestigationofFirstPrincipleDensityFunctionals”,J.Chem.Phys.,2014,141,244306;
41.SongR.X.,FengW.,Jimenez-CruzC.A.,WangB.,JiangW.R.,WangZ.G.*,ZhouR.H.*,“Waterfilminsidegraphenenanosheets:electrontransferreversalbetweenwaterandgrapheneviatightnano-confinement”,RSCAdvances,2015,5,274-280（2014,DOI:10.1039/C4RA13736A）;
40.HanJ.,DaiX.,GaoY.,MengY.,WangZ.G.*,“Defect-inducedstronglocalizationofuraniumdicarbideonthegraphenesurface”,Phys.Chem.Chem.Phys,2014,16,22784-22790;
39.DaiX.,HanJ.,GaoY.,WangZ.G.*,“DeNovoDesignofanEndohedralHeteronuclearDimetallofullerene(U-Gd)@C60withExceptionalStructuralandElectronicProperties”,ChemPhysChem,2014,15,3871-3876;
38.ChenL.,GaoY.,XuH.,WangZ.G.*,LiZ.Q.*,ZhangR.Q.*,“ThemechanismofN-Agbondingdeterminedtunabilityofsurface-enhancedRamanscatteringofpyridineonMAg(M=Cu,Ag,Au)diatomicclusters.”,Phys.Chem.Chem.Phys,2014,16,20665-20671;
37.XinM.S.,DaiX.,HanJ.,JinM.X.,Jimenez-CruzC.A.,DingD.J.,WangZ.G.*,ZhouR.H.*,“CarbonnanotubesadsorbUatomsdifferentlyintheirinnerandoutersurfaces”,RSCAdvances,2014,4,30074-30080;
36.GaoY.,DaiX.,KangS.G.,JimenezCruzC.A.,XinM.S.,MengY.,HanJ.,WangZ.G.*,ZhouR.H.*,“Structuralandelectronicpropertiesofuranium-encapsulatedAu14cage”,ScientificReports,2014,4,5862;
35.GaoY.△,ZhouB.△,KangS.G.,XinM.S.,YangP.,DaiX.,WangZ.G.*,ZhouR.H.*,“EffectofLigandsonCharacteristicsof(CdSe)13QuantumDot”,RSCAdvances,2014,4,27146–27151;
34.DaiX.,XinM.S.,MengY.,HanJ.,GaoY.,ZhangW.,JinM.X.,WangZ.G.*,ZhangR.Q.*,“Stableelectronicstructuresofadefectiveuranofullerene”,Carbon,2014,78,19–25;
33.MengY.,DaiX.,XinM.S.,TianC.J.,LiuH.,JinM.X.,WangZ.G.*,ZhangR.Q.*,"Environmental-Confinement-InducedStabilityEnhancementofChiralMolecules",ChemPhysChem,2014,15,2672–2675(Communications);
32.MengY.,XiuP.,HuangB.L.,WangZ.G.*,ZhangR.Q.*,ZhouR.H.*,"Auniquefeatureofchiraltransitionofadifluorobenzo[c]phenanthrenemoleculeconfinedinaboron-nitridenanotubebasedonmoleculardynamicssimulations",Chem.Phys.Lett.,2014,591,265–267;
31.王志刚，“复杂分子系统中的相互作用”,第十七届全国原子与分子物理学术会议，2013.07，大会邀请报告;
30.HanJ.,DaiX.,ChengC.,XinM.S.,WangZ.G.*,HuaiP.*,ZhangR.Q.*,"StrongAdsorptionbetweenUraniumDicarbideandGrapheneSurfaceInducedbyfElectrons",J.Phys.Chem.C,2013,117,26849-26857;
29.MengY.,WuQ.,ChenL.,WangmoS.,GaoY.,WangZ.G.*,ZhangR.Q.*,DingD.J.,ThomasN.,andThomasF.,"SignaturesinvibrationalandUV-visibleabsorptionspectraforidentifyingcyclichydrocarbonsbygraphenefragments",Nanoscale,2013,5,12178-12184;
28.XinM.S.,DaiX,HuangB.L.,MengY.,FengW.,JinM.X.,WangZ.G.*,ZhangR.Q.*,“BasisSetEffectonDefectInducedSpinPolarizationofaCarbonNanotubeinDensityFunctionalTheoryCalculations”,Chem.Phys.Lett.,2013,585,107-111;
27.SongR.X.,WangmoS.,XinM.S.,MengY.,HuaiP.,WangZ.G.*,ZhangR.Q.*,“Anomalousstabilityofgraphenecontainingdefectscoveredbyawaterlayer”,Nanoscale,2013,5,6767-6772(Insidebackcover);
26.ChenL.,LiZ.Q.,MengY.,LuM.,WangZ.G.andZhangR.Q.,"ChemicalMechanismandTunabilityofSurface-enhancedRamanScatteringofPyridineonHeteronuclearCoinageMetalDiatomicClusters:ADensityFunctionalStudy",J.Phys.Chem.C,2013,117,12544–12551;
25.DaiX.,ChengC.,ZhangW.,XinM.S.,HuaiP.*,ZhangR.Q.*,WangZ.G.*,“DefectInducedElectronicStructureofUranofullerene”,ScientificReports,2013,3,1341;
24.LiJ.,LiH.D.*,WangZ.G.,ZouG.T.,"Structure,magnetic,andelectronicpropertiesofhydrogenatedtwo-dimensionaldiamondfilms",Appl.Phys.Lett.,2013,102,073114;
23.王志刚，“限域的尺寸和量子效应理论研究—‘体内’手性分子对映体转变的可能影响因素”，第四届全国计算原子与分子物理学术会议，2012.08，大会邀请报告;
22.王志刚，“复杂分子系统中的相互作用理论研究”，首届全国原子分子光学物理青年科学家论坛，2012.02，论坛自由发言报告;
21.WangmoS.,SongR.X.,WangL.,DingD.J.,WangZ.G.*andZhangR.Q.*,"Stronginteractionsandchargetransfersbetweenachargedbenzenemoleculeandmultilayergraphenes",J.Mater.Chem.,2012,22,23380–23386;
20.TianC.J.△,XiuP.△,MengY.,ZhaoW.Y.,WangZ.G.*andZhouR.H.*,"EnantiomerizationMechanismofThalidomideandtheRoleofWaterandHydroxideIons",Chem.Eur.J.,2012,18,14305-14313(Frontcover);
19.LiH.D.*,LiJ.,WangZ.G.,ZouG.T.,"Layernumber-dependentstructuralevolutionoftwo-dimensionaldiamondfilms",Chem.Phys.Lett.,2012,22,130-133;
18.MengY.,TianC.J.,WangF.T.,WangZ.G.*,JinM.X.,ChenL.,FengW.,DingD.J.,"Hyperconjugationeffectonthestructuralstabilityofatert-butylanditsderivedC4Hn(n=4-10)isomers",J.Theor.Comput.Chem.2012,11,1217-1225;
17.DaiX.,MengY.,XinM.S.,WangF.T.,FeiD.H.,JinM.X.,WangZ.G.*,ZhangR.Q.*,"EnergeticsandElectronicPropertiesofaNeutralDiuraniumMoleculeEncapsulatedinC90Fullerene",ProcediaChemistry,2012,7,528-533(ATALANTE2012–NuclearChemistryForSustainableFuelCycles);
16.XinM.S.,WangF.T.,MengY.,TianC.J.,JinM.X.,WangZ.G.*andZhangR.Q.*“CharacteristicVibrationalModesandElectronicStructuresofCarbonNanotubesContainingDefects”,J.Phys.Chem.C,2012,116,292–297;
15.YangZ.X.△,WangZ.G.△,TianX.L.,XiuP.*andZhouR.H.*,”AminoAcidAnaloguesBindtoCarbonNanotubeviaπ-πinteractions:ComparisonofMolecularMechanicalandQuantumMechanicalCalculations”J.Chem.Phys.2012,136,025103(HighlightinBiochemicalPhysics);
14.WangF.T.,ChenL.,TianC.J.,MengY.,WangZ.G.*,ZhangR.Q.*,JinM.X.,ZhangP.,DingD.J.,“Interactionsbetweenfreeradicalsandagraphenefragment:Physicalversuschemicalbonding,chargetransfer,anddeformation”,J.Comput.Chem.2011,32,3264–3268;
13.TianC.J.,WangZ.G.*,JinM.X.*,ZhaoW.Y.,MengY.,WangF.T.,FengW.,LiuH.,DingD.J.,WuD.,“TransformationmechanismofaH2moleculefromphysisorptiontochemisorptioninpristineandB-dopedC20fullerenes”,Chem.Phys.Lett.,2011,511,393;
12.王志刚，“限域手性识别动力学研究”，中国物理学会秋季学术会议，2010.09，原子与分子物理分会-邀请报告;
11.WangZ.G.;WangC.L.;XiuP.;QiW.P.;TuY.S.;ShenY.M.;ZhouR.H.;ZhangR.Q.*;FangH.P.*;et.al,“SizeDependenceofNanoscaleConfinementonChiralTransformation”,Chem.Eur.J.2010,16,6482–6487(Insidecover,并被ChemViews选为新闻报道);
10.TianC.J.;WangZ.G.*;PanS.F.*;JinM.X.;et.al.,“Theoreticalstudyonthestructuresanddissociationprocessesofhexatomicsulphur”J.Mol.Struc.(THEOCHEM)2009,906,1-5（卷首）;
9.WangC.L.;LuH.J.;WangZ.G.;XiuP.;ZhouB.;HuJ.;FangH.P.*;et.al.,“Stableliquidwaterdropletonawatermonolayerformedatroomtemperatureonionicmodelsubstrates”,Phys.Rev.Lett103,2009,137801;
8.LiuW.L.;WangZ.G.;ZhengZ.R.*;SuW.H.;et.al,“Effectof_-RingRotationontheStructuresandVibrationalSpectraof_-Carotene:DensityFunctionalTheoryAnalysis”,J.Phys.Chem.A2008,112,4815-4825;
7.YaoM.G.;WangZ.G.*(负责理论）;LiuB.B.*;PanS.F.;JinM.X.;et.al,“Ramansignaturetoidentifythestructuraltransitionofsinglewallcarbonnanotubesunderhighpressure”,Phys.Rev.B2008,78,205411;
6.WangZ.G.*;ZhengZ.R.*;YuJ.H.,“Transientgainpropertyofaweakprobefieldinanasymmetricsemiconductorcoupleddoublequantumwellstructure”,Phys.Lett.A2007,370,113-118;
5.WangZ.G.*;YaoM.G.;PanS.F.*;JinM.X.;LiuB.B.;ZhangH.X.;et.al,“AbarrierlessprocessfromphysisorptiontochemisorptionofH2moleculesonlight-element-dopedfullerenes”,J.Phys.Chem.C2007,111,4473-4476;
4.WangZ.G.;PanS.F.*;YaoM.G.;WangG.;LvS.W.;JinM.X.et.al.“Thetwohydrogentransferdissociationchannelsofnicotinemoleculeinthegasphase”,J.Mol.Struc.(THEOCHEM)2006,767,95-101;
3.WangZ.G.;LianK.Y.;PanS.F.*;FanX.H.,“ApathfromIhtoC1symmetryforC20cagemolecule”,J.Comput.Chem.2005,26,1279–1283;
2.WangZ.G.,ZhangC.H.,FanX.H.,PanS.F.,YanB.,JinM.X.,“ElectronicstatesofC20isomers”,Chin.Phys,2005,14,1622-1625;
1.王志刚，敖淑艳，闫冰，潘守甫，于俊华等，“S3分子的结构与最可几解离过程理论研究”，高等学校化学学报，2004,Vol.25,No.8,1529-1532;
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