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101.
The graph-theoretic operation of rooted subtree prune and regraft is increasingly being used as a tool for understanding and modelling reticulation events in evolutionary biology. In this paper, we show that computing the rooted subtree prune and regraft distance between two rooted binary phylogenetic trees on the same label set is NP-hard. This resolves a longstanding open problem. Furthermore, we show that this distance is fixed parameter tractable when parameterised by the distance between the two trees.Received March 16, 2004 相似文献
102.
T.S. Khlebnicova V.G. Isakova A.V. Baranovsky E.V. Borisov F.A. Lakhvich 《Journal of fluorine chemistry》2006,127(12):1564-1569
A one-pot synthesis of 2-perfluoroalkanoylcyclohexane-1,3-diones via C-acylation of cyclohexane-1,3-diones with N-perfluoroacylimidazole as an acylating agent is reported. A reaction was examined with isolated N-trifluoroacetylimidazole and with N-perfluoroacylimidazoles generated in situ from perfluorocarboxylic acid anhydrides or perfluorocarboxylic acids. 相似文献
103.
Admissible slopes for monotone and convex interpolation 总被引:1,自引:0,他引:1
Summary In many applications, interpolation of experimental data exhibiting some geometric property such as nonnegativity, monotonicity or convexity is unacceptable unless the interpolant reflects these characteristics. This paper identifies admissible slopes at data points of variousC
1 interpolants which ensure a desirable shape. We discuss this question, in turn for the following function classes commonly used for shape preserving interpolations: monotone polynomials,C
1 monotone piecewise polynomials, convex polynomials, parametric cubic curves and rational functions. 相似文献
104.
A graph G is N2‐locally connected if for every vertex ν in G, the edges not incident with ν but having at least one end adjacent to ν in G induce a connected graph. In 1990, Ryjá?ek conjectured that every 3‐connected N2‐locally connected claw‐free graph is Hamiltonian. This conjecture is proved in this note. © 2004 Wiley Periodicals, Inc. J Graph Theory 48: 142–146, 2005 相似文献
105.
Y.B. Melnichenko G.D. Wignall D.R. Cole H. Frielinghaus L.A. Bulavin 《Journal of Molecular Liquids》2005,120(1-3):7-9
Small angle neutron scattering (SANS) is a well-established technique for investigating the behavior of confined binary liquid solutions, as it can probe the correlation length and susceptibility in pores on length scales 1 – 100 nm. We applied SANS to explore the influence of confinement on critical behavior of an individual fluid carbon dioxide (CO2) in a highly porous aerogel. The results demonstrate that quenched disorder induced by aerogel significantly depresses density fluctuations. Despite the negligible volume occupied by aerogel (< 4%), the macroscopic phase separation of confined CO2 into coexisting liquid and gaseous phases is suppressed and below the critical temperature of the bulk fluid frozen methastable microdomains are formed. Experimental data show that critical adsorption is as important as the effect of confinement in defining the behavior of confined fluids. 相似文献
106.
107.
An attempt is made to present a simple theoretical analysis of the energy-wave vector dispersion relation of the conduction electrons in heavily doped non-parabolic semiconductors forming band tails. We observe that the complex energy spectrum in doped small-gap materials whose unperturbed conduction band is described by the three band model of Kane is due to the interaction of the impurity atoms in the tail with the spin-orbit splitting constant of the valence band (Δ), For band-gap (Eg)<Δ the imaginary part predominates which tails in to the conduction band. For the opposite inequality the real part comes in to play which tails in to the split-off band. In the absence of the band tailing effect, the imaginary part of the complex energy spectrum vanishes and the same is also true for doped two-band Kane-type and parabolic energy bands respectively. The present formulation helps us in investigating the Boltzmann transport equation dependent transport properties of degenerate semiconductors and are expected to agree better with experiments. The well-known results of unperturbed three and two band models of Kane together with wide-gap parabolic energy bands have been obtained as special cases of our generalized analysis under certain limiting conditions. 相似文献
108.
This paper is devoted to a detailed theoretical study of an ion pair SN2 reaction LiNCO+CH3F in the gas phase and in solution at the level of MP2(full)/6-31+G**//HF/6-31+G**. Two possible reaction mechanisms, inversion and retention, are discussed. There are eight possible reaction pathways. The inversion mechanism is more favorable no matter in the gas phase or in solution based on analyses of the transition structures. Methyl isocyanate should form preferentially in the gas phase and more stable methyl cyanate is the main product in solution. The retardation of the reaction in solvents was attributed to the difference in solvation in the separated reactants and in the transition state. 相似文献
109.
A Promising MoO_x-based Catalyst for n-Heptane Isomerization 总被引:1,自引:0,他引:1
Song Hai CHAI Xin Ping WANG* Ying Jun WANG Tian Xi CAI State Key Laboratory of Fine Chemicals Dalian University of Technology Dalian 《中国化学快报》2003,14(7)
The increasing demand for higher-octane gasoline and the regulations limiting the amount of aromatics in the fuel motivate the interest in catalytic isomerization of n-alkanes. In the last ten years, transition metal oxides or oxycarbides based on molybdenum or tungstate have attracted much attention due to their high activity and isomerization selectivity compared to the conventional bifunctional supported platinum catalyst and high resistance to sulphur and nitrogen catalyst poisons1-5. Ma… 相似文献
110.