Fractional Hamiltonian Monodromy

We introduce fractional monodromy in order to characterize certain non-isolated critical values of the energy–momentum map of integrable Hamiltonian dynamical systems represented by nonlinear resonant two-dimensional oscillators. We give the formal mathematical definition of fractional monodromy, which is a generalization of the definition of monodromy used by other authors before. We prove that the 1:( − 2) resonant oscillator system has monodromy matrix with half-integer coefficients and discuss manifestations of this monodromy in quantum systems. Communicated by Eduard Zehnder Submitted: February 25, 2005; Accepted: November 17, 2005     

Local ν-Euler Derivations and Deligne's¶Characteristic Class of Fedosov Star Products¶and Star Products of Special Type

In this paper we explicitly construct local ν-Euler derivations , where the ξ_α are local, conformally symplectic vector fields and the are formal series of locally defined differential operators, for Fedosov star products on a symplectic manifold (M,ω) by means of which we are able to compute Deligne's characteristic class of these star products. We show that this class is given by , where is a formal series of closed two-forms on M the cohomology class of which coincides with the one introduced by Fedosov to classify his star products. Moreover, we consider star products that have additional algebraic structures and compute the effect of these structures on the corresponding characteristic classes of these star products. Specifying the constituents of Fedosov's construction we obtain star products with these special properties. Finally, we investigate equivalence transformations between such special star products and prove existence of equivalence transformations being compatible with the considered algebraic structures. Dedicated to the memory of Moshé Flato Received: 28 June 1999 / Accepted: 11 April 2002?Published online: 11 September 2002     

On variable stepsize Runge-Kutta approximations of a Cauchy problem for the evolution equation

We consider a Cauchy problem for the sectorial evolution equation with generally variable operator in a Banach space. Variable stepsize discretizations of this problem by means of a strongly A(φ)-stable Runge-Kutta method are studied. The stability and error estimates of the discrete solutions are derived for wider families of nonuniform grids than quasiuniform ones (in particular, if the operator in question is constant or Lipschitz-continuous, for arbitrary grids).     

Synthesis of benzofurans via Pd-catalyzed oxidative cyclization of 2-allylphenols

Substituted 2-methylbenzofurans were obtained from 2-allylphenols via Pd²⁺-catalyzed oxidative cyclization using Cu(OAc)₂–LiCl as a reoxidant and wet DMF as a solvent.     

A catalyst-free one-step synthesis of N-pyrimidinyl amidines from endocyclic enamines and 4-azidopyrimidines

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Formation of spanning water networks on protein surfaces via 2D percolation transition

The formation of spanning hydrogen-bonded water networks on protein surfaces by a percolation transition is closely connected with the onset of their biological activity. To analyze the structure of the hydration water at this important threshold, we performed the first computer simulation study of the percolation transition of water in a model protein powder and on the surface of a single protein molecule. The formation of an infinite water network in the protein powder occurs as a 2D percolation transition at a critical hydration level, which is close to the values observed experimentally. The formation of a spanning 2D water network on a single rigid protein molecule can be described by adapting the cluster analysis of conventional percolation studies to the characterization of the connectivity of the hydration water on the surface of finite objects. Strong fluctuations of the surface water network are observed close to the percolation threshold. Our simulations also furnish a microscopic picture for understanding the specific values of the experimentally observed hydration levels, where different steps of increasing mobility in the hydrated powder are observed.     

Structure and properties of nonclassical polymers

Utilizing an extended Hubbard-type Hamiltonian which incorporates both nearest-neighbour Coulomb repulsion and exchange interactions, we have studied the energy dispersion of the lowest elementary excitation from the ferromagnetically aligned state of quasi one-dimensional alternant hydrocarbon networks. It was found that the main effect of the long range Coulomb interaction may be thought of as a renormalization (screening) of the on-site Hubbard integral. This implies an enhancement of the kinetic exchange term and impairs the stability of the ferromagnetic state towards single spin inversions. However, for physically relevant values of the parameters entering the model Hamiltonian, the collective spin excitation represents a magnon, whose energy band lies above the reference value pertaining to the magnetically saturated configuration.Dedicated to Prof. Dr. Adolf Neckel on the occasion of his 60th birthday