简介：Wedesignafamilyof2DH~m-nonconformingfiniteelementsusingthefullP_(2m-3)degreepolynomialspace,forsolving2mthellipticpartialdifferentialequations.Theconsistenterrorisestimatedandtheoptimalorderofconvergenceisproved.Numericaltestsonthenewelementsforsolvingtri-harmonic,4-harmonic,5-harmonicand6-harmonicequationsarepresented,toverifythetheory.
简介：为在的盒子象差错为高级放射性的原子废物在一个仓库的近的域里在包围岩石团以内存在一样的大地质的结构，浸透不饱和的无所不在关节的岩石质量的双孔的媒介的一个种联合thermo-hydro-mechanical-migratory模型被建立。在现在的模型，渗出物域和集中域是双的，但是压力域和温度域是集合的单身者，和影响，空格，角度，连续性比率，媒介的组成的关系上的破裂的僵硬能被考虑。同时，有限元素方法的一个二维的节目被开发。拿在是不饱和的一个岩石团定位的一个假想原子浪费仓库是的双孔的媒介一个计算例子，为联合的thermo-hydro-mechanical-migratory的女性的分析在有或没有一个差错，和温度为盒子漏的放射性的核种的条件下面被执行，毛孔压力，流动速度，在岩石团中的核种集中和主要压力被调查。在差错的破裂水流动的结果表演是基本上沿着差错方向，和它的流动速度比在岩石质量中的破裂水的高几乎三个数量级；没有差错，在差错的核种集中也比那高得多，并且核种更快沿着差错移动；而且，差错在岩石团中在毛孔压力和主要压力上有明显的影响。
简介：ＳＹＮＴＨＥＳＩＳＯＦ３－ＡＲＹＬ－１（２Ｈ，４Ｈ）ＡＣＲＩＤＯＮＥＳＡＮＤＴＨＥＩＲＤＥＲＩＶＡＴＩＶＥＳ￥ＲｏｎｇＹＩＮ；ＧｕａｎｇＦａｎＨＡＮ；ＹｕＴｉａｎＬＩ（ＤｅｐａｒｔｍｅｎｔｏｆＭｅｄｉｃａｌＬａｂｏｒａｔｏｒｙ，ＪｉｌｉｎＭｅｄｉｅａ...
简介：ThecomplexK3H4GeW9V3O40·8H2OcrystallizedinamonocliiniesystemwithspacegroupP2,Mr=2784.67,a=11.099（3）,b=16.452（4）,c=13.534（4）,β=108.14°,Z=2,V=2348.493,F（000）:2456,μ=239.7cm-1,De=3.932g/cm3.ThefinalR=0.083for4528non-zeroreflexions.ThestructureofanionsGeW9V3O40andGeW9O34belongstoA--type.
简介：Multilayerblackphosphorus（BP）nanoplateletsofdifferentthicknesseswerepreparedbytheliquidphaseexfoliationmethodanddepositedontoyttriumaluminumgarnetsubstratestoformsaturableabsorbers（SAs）.Thesewerecharacterizedwithrespecttotheirthickness-dependentsaturableabsorptionpropertiesat3μm.TheBP-SAswereemployedinapassivelyQ-switchedEr:Lu2O3laserat2.84μm.ByusingBPexfoliatedindifferentsolvents,stablepulsesasshortas359nsweregeneratedatanaverageoutputpowerofupto755mW.Therepetitionrateintheexperimentwas107kHz,correspondingtoapulseenergyof7.1μJ.TheseresultsprovethatBP-SAshaveagreatpotentialforopticalmodulationinthemid-infraredrange.
简介：Yb3+complexeswithtwonitrilotriaceticacidmoleculeswerepreparedandtheircompositionsweredeterminedasK3[Yb(nta)2(H2O)]*5H2OandNa3[Yb(nta)2]*6H2Obyelementalanalyses.Theirstructureswerecharacterizedbysingle-crystalX-raydiffractionanalyses.IncomplexK3[Yb(nta)2(H2O)]*5H2O,theYbN2O7partformsanine-coordinatemonocappedsquareantiprismaticstructure.IncomplexNa3[Yb(nta)2]*6H2O,theYbN2O6partformsaneight-coordinatesquareantiprismaticstructure.Itcanbeseenthattheoutercations(K+andNa+)greatlyaffectthecoordinationnumberandcoordinatestructurefromtheseresults.
简介：[Co3(1,2-S2C6H4)3(PPh3)3][CoBr3(DMF)].sol(1,sol=CHCl3,O(C2H5)2,H2O)wasobtainedfromthereactionofCoBr(PPh3)3withNa2(S2C6H4)inchloroform.TheCo3coreinthecationof1exhibitsametal-metalbondedisoscelestriangle,inwhichthetwolongerCo-CobondsarebothbridgedbyS2C6H4ligandsontwosidesofthetriangleplanerespectively,whilethebottomshortCo-CobondisbridgedbythethirdbidentateS2C6H4ligand.Aseriesofpolynu-clearcobaltclustercompoundswithphosphine,thiolateand/orsulphurligandswerepreparedbylowoxidationstateCo+withthiolatesinorganicsolvents.Thesetri-,tetra-,hexa-,heptanuclearclustercompounds1-8withvarioustypesofcrystalstructurescanbeviewedasthecondensedpolynuclearcobaltcomplexesthatthecobaltatomframeworkswithsulphurbridgedwerebuiltthroughthesmalltriangularunitsof[Co3S3nL3](n=1,2)withorwithout[CoL](L=PR3,Br,Cl,5-C5H5)fragments.
简介：采用密度泛函B3LYP/6-311G（d,p）方法对CH3F与C2H3的反应体系进行了理论研究,获得了反应的势能面信息及可能的微观机理.在QCISD（T）/6-311＋＋G（d,p）水平上精确计算了各反应物种的单点能.结果表明,除抽提氢反应外,标题反应还存在抽提氟（R1）、消氟化氢（R2）、消氢（R3）和自由基形成（R4）四类反应.在QCISD（T）/6-311＋＋G（d,p）//B3LYP/6-311G（d,p）水平上,R1,R2,R3和R4反应的能垒分别是163.9,152.2,209.8和224.2kJ·mol-1,相应反应能为-56.6,-164.3,-2.7和-156.0kJ·mol-1,所有反应均放热,为热力学允许的反应.
简介：Thesolidaddofthefirstprotonatedzincoborophosphate,(H3O)Zn(H2O)2BP2O8·H2O(1),wassoventothermallysyn-thesizedbythereactionofZn(NO3)2·6H2OandH3BO3withH3PO4inamixedsolvent,andstructurallycharacterizedbysingle-ystalX-raydiffractionanalysis.ItcrystallizesinthehexagonalP6122,a=0.9604(4)nm,c=1.5297(6)nm,V=1.2218(8)nm^3,Dc=2.921g/cm^3,Z=6,F(000)=1080,μ=3.495mm^-1.Thestmchwefeaturesthatthetetrahedra-te-trahedrahdlcesinterconnectedbyoctahedraandstronghydro-gembondinteractionsformathree-dimensionalframework.Theprotonatedwatermoleculesarelocatedatuniquepositions.othercharacterizationsbyIRandthermalanalysisarealsode-scribed.
简介：Catalyticcombustionofpropane-airmixturewasinvestigated.Platinumcatalystsoveraflatstainlesssteelwithγ-aluminawashcoatwereemployed.Theemployedburnerhasthreecatalystssetparalleltothemixtureflow,spacedatanintervalof5,10and15mm.Bothexperimentandnumericalsimulationweremadeatinlettemperatureof553K,inletvelocityof3to7m/sandequivalenceratioof0.3to0.5.Inthenumericalsimulation,two-dimensional,steadystatemodelwasdevelopedtocalculatethetemperatureandspeciesconcentrationingas-phase.Inthismodel.chemicalreactiononthecatalystsurfaceandthatinthegasphasewereassumedtooccurinthree-steps.Thenumericalresultsshowgoodagreementwithexperimentalresults.Itwasfoundthatthepropertiesofthecatalyststronglyaffectthecatalystsurfacetemperature.Especially,thethermalconductivityofcatalysthasagreateffect,whiletheemissivityofcatalysthaslesseffect.
简介：TheauthorobtainsaWeierstrassrepresentationforsurfaceswithprescribednormalGaussmapandGausscurvatureinH3.AdifferentialequationaboutthehyperbolicGaussmapisalsoobtained,whichcharacterizestherelationamongthehyperbolicGaussmap,thenormalGaussmapandGausscurvature.TheauthordiscussestheharmonicityofthenormalGaussmapandthehyperbolicGaussmapfromsurfacewithconstantGausscurvatureinH3toS2withcertainalteredconformalmetric.Finally,theauthorconsidersthesurfacewhosenormalGaussmapisconformalandderivesacompletelynonlineardifferentialequationofsecondorderwhichgraphmustsatisfy.
简介：Tris)(η5-cyclopentadienyl-μ-carbonyl-iron)-μ3-nitrosylclusterwasobtainedfromthereactionofcyclopentadienyldicarbonylirondimerwithnitrogenmonoxideinxylene.Theclusterwascharacterizedbyelementalanalyses,IR,MSand1HNMR.Thecrystalstructureof[(η5-C5H5)(μ-CO)Fe]3(μ3-NO).C4H8OwasdeterminedbyX-raydiffractionanalysis.ItcrystallizesintheorthorhombicspacegroupPnma,a=9.053(2),6=10.545(2),c=22.525(4)A,V=2150.3(7)A3,Z=4,Dc=1.68g.cm-3;structuresolutionandrefinementbasedon1141reflectionswithI>3.0(I)(MoKa,A=0.71073A)convergedatR=0.0540.Theinfraredabsorptionbandat1325cm-1oftheμ3-NOinthecluster,whichisredshifted,showsthatμ3-NOisactivated.
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![Imidazole Coordinated Sandwich-type Antimony Polyoxotungstates Na9[ {Na（<b style='color:red'>H</b>=O2}<b style='color:red'>3</b>{<b style='color:red'>M</b>（C<b style='color:red'>3</b><b style='color:red'>H</b>4N2）}<b style='color:red'>3</b>（ Sb W9O33）2]·xH=O（<b style='color:red'>M</b>=Ni^Ⅱ, Co^Ⅱ, Zn^Ⅱ, Mn^Ⅱ）](/image/thesis0 "Imidazole Coordinated Sandwich-type Antimony Polyoxotungstates Na9[ {Na（<b style='color:red'>H</b>=O2}<b style='color:red'>3</b>{<b style='color:red'>M</b>（C<b style='color:red'>3</b><b style='color:red'>H</b>4N2）}<b style='color:red'>3</b>（ Sb W9O33）2]·xH=O（<b style='color:red'>M</b>=Ni^Ⅱ, Co^Ⅱ, Zn^Ⅱ, Mn^Ⅱ）")
![Syntheses, Crystal Structures and Characterization of Two Zeotype Crystals of K4[Cr30（<b style='color:red'>H</b>2O） <b style='color:red'>3</b>（OOCH） 6] 2[ P2W18O62]· 9.5<b style='color:red'>H</b>2 O and K4[ Cr<b style='color:red'>3</b>O（ <b style='color:red'>H</b>2O）<b style='color:red'>3</b>（ OOCH）6 ]2[ <b style='color:red'>H</b><b style='color:red'>3</b> P2 W17Co（<b style='color:red'>H</b>2O） O61]· 20<b style='color:red'>H</b>2O](/image/thesis10 "Syntheses, Crystal Structures and Characterization of Two Zeotype Crystals of K4[Cr30（<b style='color:red'>H</b>2O） <b style='color:red'>3</b>（OOCH） 6] 2[ P2W18O62]· 9.5<b style='color:red'>H</b>2 O and K4[ Cr<b style='color:red'>3</b>O（ <b style='color:red'>H</b>2O）<b style='color:red'>3</b>（ OOCH）6 ]2[ <b style='color:red'>H</b><b style='color:red'>3</b> P2 W17Co（<b style='color:red'>H</b>2O） O61]· 20<b style='color:red'>H</b>2O")
![[Mn<b style='color:red'>3</b>Ⅱ(CH<b style='color:red'>3</b>COO)6(<b style='color:red'>H</b>2O)4·(<b style='color:red'>H</b>2O)2]n的合成、结构与磁性研究](/image/thesis11 "[Mn<b style='color:red'>3</b>Ⅱ(CH<b style='color:red'>3</b>COO)6(<b style='color:red'>H</b>2O)4·(<b style='color:red'>H</b>2O)2]n的合成、结构与磁性研究")
![Syntheses and Structural Researches of Yb^<b style='color:red'>3</b>＋ Complexes with Nitrilotriacetic Acids—Nine—coordinate K<b style='color:red'>3</b>[Yb（nta）2（<b style='color:red'>H</b>2O）]·5<b style='color:red'>H</b>2O and Eight—coordinate Na<b style='color:red'>3</b>[Yb（nta）2]·6<b style='color:red'>H</b>2O complexes](/image/thesis12 "Syntheses and Structural Researches of Yb^<b style='color:red'>3</b>＋ Complexes with Nitrilotriacetic Acids—Nine—coordinate K<b style='color:red'>3</b>[Yb（nta）2（<b style='color:red'>H</b>2O）]·5<b style='color:red'>H</b>2O and Eight—coordinate Na<b style='color:red'>3</b>[Yb（nta）2]·6<b style='color:red'>H</b>2O complexes")
![[Co<b style='color:red'>3</b>（1,2-S2C6<b style='color:red'>H</b>4）<b style='color:red'>3</b>（PPh<b style='color:red'>3</b>）<b style='color:red'>3</b>]+, A basic triangle unit of some polynuclear molecules](/image/thesis13 "[Co<b style='color:red'>3</b>（1,2-S2C6<b style='color:red'>H</b>4）<b style='color:red'>3</b>（PPh<b style='color:red'>3</b>）<b style='color:red'>3</b>]+, A basic triangle unit of some polynuclear molecules")
![Synthesis and characterization of tris（η5-cyclopentadienyl-μ-carbonyliron）-μ<b style='color:red'>3</b>-nitrosyl cluster:X-ray structure of[（η5-C5<b style='color:red'>H</b>5）（μ-CO）Fe]<b style='color:red'>3</b>（μ<b style='color:red'>3</b>-NO）.C4<b style='color:red'>H</b>8O](/image/thesis18 "Synthesis and characterization of tris（η5-cyclopentadienyl-μ-carbonyliron）-μ<b style='color:red'>3</b>-nitrosyl cluster:X-ray structure of[（η5-C5<b style='color:red'>H</b>5）（μ-CO）Fe]<b style='color:red'>3</b>（μ<b style='color:red'>3</b>-NO）.C4<b style='color:red'>H</b>8O")
