简介：Thispapercarriesoutabinitiocalculationstostudythe80Se2(X3Σg-)stateand80Se2(X2Πg),80Se2(a4Πg)statesbyusingcompletedactivespaceself-consistentfieldandmulti-referencesecondorderperturbationtheory.Theelectroniccurvesofthesestatesincludingspin-orbitcouplingarecalculated,andthenthespectroscopicparametersareobtained.Thephotoelectronspectraof80Se2moleculeingasphaseareassignedaccordingtoFranck-Condonanalysisbasedoncalculatedpotentialenergycurves.Theionizationenergiesof80Se2moleculearedeterminedbythepresentcalculation.

简介：到HOCN的HNCO的反应，到HSCN的HNCS和到HSeCN的HNCSe在MP2/6-311++G被学习了(2df，pd)//B3LYP/6-311++G(2df，pd)水平。反应物，转变状态和产品的几何学被优化了，转变状态的几何学第一次被报导。HNCO和HNCS容易被检测而不是HOCN和HSCN的原因被解释了。HNCSe将更容易比HSeCN被检测，这被预言。在反应的化学契约的破裂和形成被电子密度的拓扑的分析方法讨论了。在反应有二种结构转变状态(圣)的计算结果表演学习了。

简介：Acrylateterpolymer-boundSe,Nbidentateligandwassynthesizedfromthesidechainchlorineofcopolymerandβ-dimethylamino-β′-hydroxyl-diethylselenoether.Thepolymer-supportedplatinumcomplexexhibitedhighcatalyticactivityinthehydrosilylationofolefinswithtriethoxysilane.

简介：二轨道的哈伯德模型被在真实空间和动量空间使用Hartree-Fock近似数字地学习，并且碱金属的地面状态性质熨硒化物半导体的KFe1.5Se2被调查。有，顺序被发现的stripetypeantiferromagnetic(AFM)的一份菱形类型Fe空缺订单在散布实验的中子被观察[J.赵，等，Phys。加快。Lett。109，267003(2012)]。跳跃参数被在真实空间适合试验性地观察的条纹AFM阶段获得。这些跳跃参数然后被用来在动量空格学习半导体的地面状态性质。是有大所在地的库仑排斥U的一个强烈相关的系统被发现，类似于莫特·阿夫姆绝缘体铜氧化物超导体的父母混合物。我们也发现在dxz和dyzorbitals的电子职业数字和磁化同时变得不同，显示轨道的订什么时候U>Uc(3.4eV)。这些结果暗示在二orbitals之间的旋转对称被轨道的订打破并且因此驾驶磁性的联合的强壮的anisotropy被实验观察了并且在这混合物的条纹类型AFM顺序可以被和观察大anisotropy的轨道的订引起。

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简介：Thispaperisconcernedwithexperimentalandnumericalresearchon3DflowpastprismaticturbinecascadeSE1050(knowninQNETnetworkasopentestcaseSE1050).Theprimarygoalwastoassesstheinfluenceoftheinletvelocityprofileontheflowstructuresintheinterbladechannelandontheflowfieldparametersatthecascadeexitandtocomparethesefindingstoresultsofnumericalsimulations.Investigationsof3Dflowpastthecascadewithnon-uniforminletvelocityprofilewerecarriedoutbothexperimentallyandnumericallyatsubsonic(M2is=0.8)andattransonic(M2is=1.2)regimeatdesignangleofincidence.Experimentaldatawasobtainedusingatraversingdevicewithafive-holeconicalprobe.Numerically,the3DflowwassimulatedbyopensourcecodeOpenFOAMandin-housecode.AnalysesofexperimentaldataandCFDsimulationshaverevealedthedevelopmentofdistinctivevortexstructuresresultingfromnon-uniforminletvelocityprofile.Originofthesestructuresresultsinincreasedlossofkineticenergyandspanwiseshiftofkineticenergylosscoefficientdistribution.Differencesfoundbetweenthesubsonicandthetransoniccaseconfirmearlierfindingsavailableintheliterature.ResultsofCFDandexperimentsagreereasonablywell.

简介：采用简单的溶剂热法成功合成了CdS0.05Se0.05纳米球，采用x射线衍射（XRD）分析，X射线光电子能谱（XPS），X射线能谱（EDS），透射电子显微镜（TEM），扫描电子显微镜（SEM）等检测手段对样品进行纯度和性能的测试．结果表明，表面活性剂PVP对于纳米球的形成起到了很重要的作用．最后，利用时间的演变过程合理的提出了它的形成机制．

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简介：Wemeasurethecurrent–voltage(I–V)characteristicsforthesinglecrystalofTl0.4K0.41Fe1.71Se2withthesuperconductingtransitiontemperature(TC)around30.5K,undera10Tmagneticfieldappliedperpendicularandparalleltotheabplane.WefindthattheshapesoftheI–Visothermsareverydifferentfromthedescriptionbythevortex-glass(VG)model.CombiningtheoreticalcalculationsandanalysisoftheρH⊥ab–TandρHab–Tdata,wegiveanexplicitdiscussionoverthesuitabilityoftheVGmodelfortheA0.8Fe2Se2superconductors,andpointoutthepossibilityofthematerialactingasaconvenientplatformforre-examinationandfurtherstudyofthecomplexvortexbehaviorsinthelayeredsuperconductors.

简介：取适量金属铀（含95％^235U）封装在石英安焙瓶中，水煮检漏。将封装有^235U的安焙瓶置于铝筒中，氩弧焊焊接，氦质谱检漏仪对铝筒检漏。检漏合格后，在中子注量率为2×10^13cm^-2·s^-1的条件下照射适当的时间，冷却5～7d。将辐照冷却后的^235U经浓硝酸溶解，同时释放出^131I，^85和^133Xe。

简介：Broadband（1.6–18THz）terahertztime-domainspectroscopy（THz-TDS）andtime-resolvedterahertzspectroscopy（TRTS）wereperformedona54μmthickchalcogenideglass(As30Se30Te40)samplewithatwo-colorlaser-inducedairplasmaTHzsystemintransmissionandreflectionmodes,respectively.Twoabsorptionbandsat2–3and5–8THzwereobserved.TRTSrevealsanultrafastrelaxationprocessofthephotoinducedcarrierresponse,welldescribedbyarateequationmodelwithafiniteconcentrationofmid-bandgaptrapstatesforself-trappedexcitons.ThephotoinducedconductivitycanbewelldescribedbytheDrude–Smithconductivitymodelwithacarrierscatteringtimeof12–17fs,andweobservesignificantcarrierlocalizationeffects.Afastrefractiveindexchangewasobserved100fsbeforetheconductivityreacheditsmaximum,with2ordersofmagnitudelargeramplitudethanexpectedfortheopticallyinducedTHzKerreffect,indicatingthatfreecarriersareresponsibleforthetransientindexchange.

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简介：通过样品处理、谱线选择、准确度和精密度实验、加标回收实验及与其它标准测定方法的比对实验,建立了电感耦合等离子体原子发射光谱（ICP-AES）法测定粗锑中As、Bi、Cd、Cu、Fe、Pb、Se7种元素的定量分析方法。实验结果表明,方法准确度高,稳定可靠,相对标准偏差（RSD,n=6）均小于3%,方法的加标回收率在95%-105%,分析结果与分光光度法、原子吸收光谱（AAS）法及原子荧光光谱（AFS）法分析结果相吻合,能够满足日常对粗锑中杂质元素含量测定的要求。

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简介：WereportQ-switchedandmode-lockederbium-dopedall-fiberlasersusingternaryReS2(1-x)Se2xassaturableabsorbers(SAs).ThemodulationdepthandsaturableintensityofthefilmSAare1.8%and0.046MW∕cm2.InQ-switchedmechanismoutput,thepulsewascenteredat1531.1nmwithmaximumpulseenergyandminimumpulsewidthof28.29nJand1.07μs,respectively.Inmode-lockedoperation,thepulsewascenteredat1561.15nmwithpulsewidthof888fs,repetitionrateof2.95MHz,andmaximumpulseenergyof0.275nJ.Tothebestofourknowledge,thisisthefirstreportonthemode-lockedEr3+-dopedfiberlaserusingternarytransitionmetaldichalcogenides.Thisworksuggestsprospective2D-materialSAscanbewidelyusedinversatilefieldsduetotheirattractiveoptoelectronicandtunableenergybandgapproperties.

简介：Halfsandwichirondicarbonylcomplex[η5-C5H3(t-Bu)2]Fe(CO)2Cl(1)reactswith1,2-dilithiumdiselenocarboraneLi2Se2C2B10H10(2)togiveabinuclearironcarboranecomplex[η5-C5H3(t-Bu)2]2Fe2(CO)3*Se2C2B10H10(3).TheX-raydiffractionanalysisofcomplex3revealsthatoneoftheironatomsischiral.