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简介：Theground-stateandthermodynamicpropertiesofquantummixed-spinchainsof1/2-1/2-1-1and3/2-3/2-1-1areinvestigatedbyaquantumMonteCarlosimulationwiththeloop-clusteralgorithm.For1/2-1/2-1-1chain,wefindithastwophasesseparatedbyanenergy-gapvanishingpointintheground-state.For3/2-3/2-1-1chain,thenumericalresultsshowtwoenergy-gapvanishingpointsisolatedbydifferentphasesinitsground-state.Ourcalculationsindicatethatallthesegroundstatephasescanbeunderstoodbymeansofvalence-bond-solidpicture,andthethermodynamicbehavioratfinitetemperaturesiscontinuousasafunctionofparameterα=J2/J1.

简介：Treatmentof4-amino-3-(1-aryl-5-methyl-1,2,3-triazol-4-yl)-5-mercapto-1,2,4-triazoles/2-amino-5-(1-aryl-5-methyl-1,2,3-triazole-4-yl)-1,3,4-thiadiazoleswithbenzaldehyde,acetoneandω-bromoacetophenonewastestedandcompared.ThetitlecompoundsSchiffbases,amides,imidazolo[2,1-b]-1,3,4-thiadiazolesand7H-s-triazolo[3,4-b]-1,3,4-thiadiazineshavebeenconfirmedbyelementalanalyses,^1HNMR,IRandMSspectra.AllthecompoundshavealsobeenscreenedfortheirantibacterialactivitiesagainstB.subtilis,S.aureusandE.coli.

简介：The1,1'-binaphtholbasedoligomers3and7with3,3'-acetylene-phenylene-acetylenespacerwerepreparedfromBINOL1.ThehighopticalrotationvalueandCDspectrademonstratedthemainchainchiralityoftheoligomermolecule.TheUV-VISandfluorescentspectraevidencethecharacteristicsofconjugatedstructure.Incomparisonwitholigomer2bearing3,3'-acetylenespacer,theoligomers3and7havelongerefficientconjugationsegment,andtheirfluorescentquantumyields(φ)increased(0.60-0.65versus0.14).Extendingtheeffectiveconjugationsegmentwouldimprovethephotophysicalpropertiesofchiralconjugatedpolymers.``

简介：TwopossiblereactionmechanismsofVS~+(~3∑~-,~1Γ)withCOinthegasphasehavebeenstudiedbyusingB3LYP/TZVPandCCSD(T)/6-311+G(3dr,3pd)methods:theO/Sexchangereaction(VS~++CO→VO~++CS)andtheS-transferreaction(VS~++CO→V~++COS).Thetworeactionsproceedviatwo-stepandone-stepmechanism,respectively.ThebarriersofthetripletandsingletPESsare30.6and50.9kcal/mol,respectively,forO/Sexchangereactionand7.3and50.2kcal/mol,respectively,fortheS-transferreaction.Theresultsindicatethatthetripletgroundstatereactionismorefavorable,andtheS-transferreactionismorefavorablethantheO/Sexchangereaction,whichisingoodagreementwiththeexperimentalobservation.

简介：YbxY1-xAl3(BO3)4(x=0.1,0.07and0)crystalshavebeengrownbythefluxmethod.ThegrowthdefectsofYbxY1-xAl3(BO3)4crystalsweredetectedbyX-raytopography.ItisfoundthattheperfcetionofYbYABcrystalwithlowYbdopantisbetterthanthatwithhighYbdopant.InYb0.1Y0.9Al3(BO3)4crystal,growhtbands,growthboundaries,grown-indislocationsandinclusionswereobserved.Howver,thedensitiesofgrowthdefectsforYb0.07Y0.93Al3(BO3)4andYAl3(BO3)4arelowandnoobviousinclusionsareobservedinthesecrytals.Inaddition,growthtwinswrerdetectedinYbxY1-xAl3(BO3)4crystalbyusingthechemicaletchingmethod.ItisfoundthatthegrowthtwinsoccurfrequentlyinYb0.01Y0.9Al3(BO3)4crystalwhereasnogrowthtwinappearsinYAl3(BO3)4crystal.Basedontheexperimentalobservations,theformationmechanismofgrowthtwinsisdiscussed.Inthemeantime,theeffectivemeasuresforreducingthegrowthtwinsanddefectsareproposed.2001ElsevierScienceB.V.Allrightsreserved.

简介：<正>Inthisnote.wewillshowthatnononuniformlatticeofSO（3,1）canbethefundamentalgroupofaquasi-compactKhlermanifold.Thus,combiningwiththeresultin[1].onegetsthatanonuniformlatticeinSO（n,1）（n≥3）cannotbeπ1ofanyquasi-compactKhlerianmanifold.

简介：设P为素数，利用同余及高次丢番图方程的一些结果证明了不定方程组x-1=3py^2，x^2＋x＋1=3z^2仅有正整数解（p，x，y，z）=（7，22，1，13）。

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：Newphosphorus-andselenium-containingheterocyclyes,1,3,2,6-dioxaphosphaselena-cyclooctanes(la-1h),weresynthesizedbythereactionofbis(2-hydroxyethyl)selenidewithRP(X)Cl2whereR=alkoxyl,aroxyl,arylandX=Oorlonepair.Theirstructuresweredeterminedbyspectro-scopiesandelementalanalysesandfinallyconfirmedbytheX-raycrystallographicanalysisof1c.Themolecularstructuresoftheheterocycleswerediscussedintermofconformationalanalysis.

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简介：讨论了方程ｘ（ｔ）＝－ｘ＾３（ｔ－１）－ｘ＾３（ｔ－２）周期解的结构。

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简介：指出GL(3,2)的两个不共轭的{2,3}-Hall子群都和S_4同构.由此,进一步给出两个不同构的S_4-模提供相同2-Brauer特征标的例子.

简介：3-(2-Hydroxyphenyl)-6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine,C16H11N5O3S,waspreparedbythecyclizationof3-(2-hydroxyphenyl)-4-amino-5-mercapto-1,2,4-triazolewith2-bromo-4-nitroacetophenone.Thecompoundwascharacterizedbymeansofelementalanalysis,IR,1HNMR,13CNMR,massspectrometry,andX-raydiffraction.ThecompoundcrystallizesinamonoclinicsystemwithspacegroupCc,a=2.1853(4)nm,b=2.1192(5)nm,c=1.3526(3)nm,β=95.21(2)°,V=6.238(2)nm3,Dcalcd.=1.505Mg/m3,Z=16,F(000)=2916,R1=0.0501,wR2=0.0427.Acomparisonbetweenthecrystalstructuresof1,2,4-triazolo[3,4-b][1,3,4]thiadiazineand1,2,4-triazolo[3,4-b][1,3,4]thiadiazolewasmadeinthestructuralview.Atwo-dimensionalnetworkisformedbyhydrogenbondsandπ-πstackinginteractions.

简介：Thehydrolysisreactionof(±)-2-acetamido-3-hydroxy-1-(4-nitrophenyl)-1-propanone[(±)-1],anintermediateofchloramphenicol,wasstudiedandthreedifferentproductswereobtainedrespectivelyunderdifferentreactionconditions.Theresolutionofhydrolysisproduct(±)-2-amino-3-hydroxy-1-(4-nitrophenyl)-1-propanone[(±)-3]wascarriedout.Aprocessofcrystallization-inducedasymmetrictransformationwasobservedandupto76%oftheopticallypureenantiomerwasobtainedintheresolutionof(±)-3.

简介：Wehavesuccessfullysynthesized1-(2′-Phenyl)cycloproply1-2,3-epoxypropan-1-ol3,whichwillbeappliedtothekineticsstudyofoxiranylcarbinylradical.

简介：ThesplittingofpotentialenergylevelsforgroundstateX2ΠgofOx2(x=+1,1)underspin–orbitcoupling(SOC)hasbeencalculatedbyusingthespin–orbit(SO)multi-configurationquasi-degenerateperturbationtheory(SO-MCQDPT).TheirMurrell–Sorbie(M–S)potentialfunctionsaregained,andthenthespectroscopicconstantsforelectronicstates2Π1/2and2Π3/2arederivedfromtheM–Sfunction.TheverticalexcitationenergiesforOx2(x=+1,1)areν[O+12(2Π3/2→X2Π1/2)]=195.652cm1,andν[O12(2Π1/2→X2Π3/2)]=182.568cm1,respectively.Allthespectroscopicdataforelectronicstates2Π1/2and2Π3/2aregivenforthefirsttime.

简介：让(u?弈吗？？

简介：The1/3subharmonicsolutionfortheDuffing'sequationisinvestigatedbyusingthemethodsofharmonicbalanceandnumericalintegration.Thesensitivityofparametervariationforthetransientprocessandthetransientprocessfortheperturbanceinitialconditionsarestudied.Overandabove,theprecisionofnumericalintegrationmethodisdiscussedandthenumericalintegrationmethodiscomparedwiththeharmonicbalancemethod.Finally,asymptoticalstabilityofthepuresubharmonicoscillationselementisinspected.