简介:Thispaperinvestigatestheoreticallytheelectronictransmissionspectraofthethreeterminalpyrenemolecularbridgeandthequantumcurrentdistributiononeachbondbythetight-bindingmodelbasedonnonequilibriumGreen'sfunctionandthequantumcurrentdensityapproach,inwhichoneπmolecularorbitalistakenintoaccountpercarbonatomwhentheenergylevelsandHOMO-LUMOgapareobtained.Thetransmissionspectrashowthattheelectronictransmissionofthethreeterminalpyrenemolecularbridgedependsobviouslyontheincidentelectronicenergyandthepyreneeigenenergy.Thesymmetricalandoscillationpropertiesofthetransmissionspectraareillustrated.Anovelplus-minusenergyswitchingfunctionisfound.Thequantumcurrentdistributionshowsthattheloopcurrentsinsidethepyreneareinduced,andsomebondcurrentsaremuchlargerthantheinputandtheoutputcurrents.Thereasonswhytheloopcurrentsandthelargerbondcurrentsareinducedarethephasedifferenceoftheatomicorbitsandthedegeneracyofthemolecularorbits.ThecalculationsillustratethatthequantumcurrentdistributionsareingoodagreementwithKirchhoffquantumcurrentconservationlaw.
简介:Recurrenteventsdatawithaterminalevent(e.g.death)oftenariseinclinicalandobservationalstudies.Mostofexistingmodelsassumemultiplicativecovariateeffectsandmodeltheconditionalrecurrenteventrategivensurvival.Inthisarticle,weproposeageneraladditive-multiplicativeratesmodelforrecurrenteventdatainthepresenceofaterminalevent,wheretheterminaleventstopthefurtheroccurrenceofrecurrentevents.Basedontheestimatingequationapproachandtheinverseprobabilityweightingtechnique,weproposetwoproceduresforestimatingtheregressionparametersandthebaselinemeanfunction.Theasymptoticpropertiesoftheresultingestimatorsareestablished.Inaddition,somegraphicalandnumericalproceduresarepresentedformodelchecking.Thefinite-samplebehavioroftheproposedmethodsisexaminedthroughsimulationstudies,andanapplicationtoabladdercancerstudyisalsoillustrated.
简介:AbstractThetemporaldevelopmentofasinglemodeRayleigh-Taylorinstabilityconsistsofthreestages:thelinear,freefallandterminalvelocityregimes.Thepurposeofthispaperistoreportonnewphenomenaobservedintheapproachtoterminalvelocity.Ournumericalstudyshowsanunexpectednonuniformapproachtoterminalvelocity.Thenonuniformityappliesespeciallytothespikes,whicharefingersofheavyfluidfallingintothelightfluid,butitalsoappliestotherisingbubblesoflightfluid.ForspikesespeciallyourresultscallintoquestionthemeaningfulnessofaterminalvelocityformoderatevaluesoftheAtwoodnumberA.Afterashorttimeperiodofpseudo-terminalplateau,thespikevelocityincreasestoasignificantlyhighermaximum,followedbyadecrease.Thisphenomenaappearstobeduetoaslowevolutionintheshapeofthespikeandbubble.Wefindarelationbetweenthespike(bubble)accelerationandthetipcurvature.Incorrelationwithanincreaseinthespikevelocity,th
简介:ReactionofperfluoroalkyliodideswithaseriesofalkynesundersulfinatodehalogenationconditiongaveamixtureofE/Zadductsveryreadilyinhighyield,thusconstitutedamild,convenientandeffectivenewmethodfortheadditionofperfluoroalkyliodidestoalkynes.Underthesamecon-dition,inthepresenceof1-hexyneperfluoroalkylbromideand1,1,1-trichlorotrifluoroethanereactedonlytogivesulfinatesasthemajorproducts.Aradicalmechanismwasproposedfortheadditionreaction.
简介:Inthispaperweconsiderinfinitehorizonbackwarddoublystochasticdifferentialequations(BDSDEsforshort)coupledwithforwardstochasticdifferentialequations,whoseterminalfunctionsarenon-degenerate.ForsuchkindofBDSDEs,westudytheexistenceanduniquenessoftheirsolutionstakingvaluesinweightedL~p(dx)■L~2(dx)space(p≥2),andobtainthestationarypropertyforthesolutions.
简介:Thepalladium-salencomplexpalladium(Ⅱ)N,N'-bis{[5-(triphenylphosphonium)-methyl]salicylidene}-l,2-ethanediaminechloridewasfoundtobeahighlyactivecatalystforthecopper-andsolvent-freecouplingreactionofterminalalkyneswithdifferentacylchloridesinthepresenceoftriethylamineasbase,givingexcellentynonesunderaerobicconditions.