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422 个结果
  • 简介:Quasiclassicaltrajectorycalculation(QCT)isusedfrequentlyforstudyingcollisionalenergytransferbetweenhighlyvibrationallyexcitedmoleculesandbathgases.Inthispaper,theQCToftheenergytransferbetweenhighlyvibrationallyexcitedC6F6andN2,O2andgroundstateC6F6wereperformed.TheresultsindicatethathighlyvibrationallyexcitedC6F6transferredvibrationalenergytovibrationaldistributionofN2,O2andgroundstateC6F6,sotheyareV-Venergytransfer.EspeciallyitismainlyV-VresonanceenergytransferbetweenexcitedC6F6andgroundstateC6F6,excitedC6F6transfersmorevibrationalenergytogroundstateC6F6thantoN2andO2.ThevaluesofQCT,-〈△Evib〉ofexcitedC6F6aresmallerthanthoseofexperiments.

  • 标签: 准经典轨道计算 碰撞能转换 C6F6 N2 O2 氟苯
  • 简介:1.IntroductionInthispaperweconsiderCauchyproblemforaclassofnonhomogeneousNavier-Stokesequationsintheinfinitecylinderwith.Givensatisfyinginthedistributionsensediv,weseekasolutionvectorandapressurefunctionP(t,x)suchthatwhereisanonlinearvector-valuedfun...

  • 标签: ADMISSIBLE triple NAVIER-STOKES equations CAUCHY problem
  • 简介:通过对现有灰色关联度模型及算法的分析,首次提出了角度化灰色T型关联度模型。在分段线性表示的基础上,使用相邻线段间的夹角构成的角度序列近似表示时间序列,并给出了相关灰色关联系数和灰色关联度的计算方法。角度化灰色T型关联度模型不仅能够反映序列的正负相关关系,并且满足对称性、唯一性、可比性和规范性等性质。最后,通过实证分析证明了该模型的实用性和有效性。

  • 标签: 灰色系统理论 角度化 灰色T型关联度 时间序列
  • 简介:新奇tetra-carboxylphenyl杯的相互作用[4]有牛的心细胞色素c(Cc)的arene(TCPC)被荧光光谱学和分子的建模方法首先调查。稳定的1:1建筑群的形成被荧光滴定监视,并且它的有约束力的常数是1.916脳107L摩尔?1。分子的建模揭示TCPC的识别机制到Cc表面,也就是说,静电的相互作用驾驶TCPC到Cc表面,并且货车derWaals相互作用面向TCPC平行到Cc劈开。

  • 标签: 蛋白质表面识别 荧光光谱学 分子模型 细胞色素
  • 简介: ̄1HAND ̄(13)CNMRSTUDYOFINCLUSIONCOMPLEXATIONOFDSSWITHβ-CYCLODEXTRIN¥QingXiangGUO;TanREN;ZiZhongLIandYouChengLIU(NationalLabora...

  • 标签: 13C NMR
  • 简介:FournewtaxanediterpenoidswereisolatedfromthebarkofTaxusyunnanensis.Theirstructureswereelucidatedasthenewskeletonwith5/7/6/4memberedringsbyspectralanalysisand2DNMRshiftcorrelationexperiments.

  • 标签: skeleton membered TAXUS BENZOYL belongs fused
  • 简介:利用拟生灭过程和矩阵几何解的方法研究了只允许部分服务台异步单重休假的M/M/c排队系统,给出了系统的稳态指标的计算方法和条件随机分解结果,最后指出一些较简单的排队模型是本文的特例.

  • 标签: 部分休假 单重休假 拟生灭过程 条件随机分解
  • 简介:Inthispaperwedescribeamulti-gridalgorithmformixedproblemswithpenaltybythelinearfiniteelementapproximation.Itisprovedthattheconvergencerateofthealgorithmisboundedawayfrom1independentlyofthemeshsize.Forconvenience,weonlydiscussJacobirelaxationassmoothingoperatorindetail.

  • 标签: Multi-grid ALGORITHM MIXED problem PROBLEMS with
  • 简介:ErdǒsandSósconjecturedin1963(see[1],Problem12in247)thateverygraphGonnverticeswithsizee(G)>1/2n(κ-1)containseverytreeTofsizek.Inthispaper,weprovetheconjectureforgraphswhosecomplementscontainnocyclesoflength4.

  • 标签: 顶点集 曲线图 图论 包裹 树状图