Quantum-chemical estimates of geometric parameters of free radicals

Experimental geometries of the HCO^· and H₂CO^·+ -electron radicals were compared with those obtained from calculations with the total energy optimization carried out in the framework of widely used ab initio and semiempirical computational procedures. For each structural form of the radicals, the magnetic resonance parameters calculated in the MNDO approximation were correlated with experimental values determined by ESR spectroscopy. Comparative analysis of the results obtained indicates the possibility of systematic correction of the optimized geometric parameters of free radicals using the results of ESR measurements. A simple computational procedure for automatic geometry correction in the MNDO approximation is developed and evaluated.     

Small Solutions of Quadratic Diophantine Equations

We consider quadratic diophantine equations of the shape for a polynomial Q(X₁, ..., X_s) Z[X₁, ..., X_s] of degree 2.Let H be an upper bound for the absolute values of the coefficientsof Q, and assume that the homogeneous quadratic part of Q isnon-singular. We prove, for all s 3, the existence of a polynomialbound _s(H) with the following property: if equation (1) hasa solution x Z^s at all, then it has one satisfying For s = 3 and s = 4 no polynomial bounds _s(H) were previouslyknown, and for s 5 we have been able to improve existing boundsquite significantly. 2000 Mathematics Subject Classification11D09, 11E20, 11H06, 11P55.     

Invariant Metrics on Nilmanifolds with Positive Topological Entropy

Let T _n denote the group of real n × n upper-triangular matrices with 1s on the diagonal. This paper constructs left-invariant Riemannian and sub-Riemannian metrics on T ₃ T ₄ whose geodesic flow has a subsystem that factors onto a suspended horseshoe. As a corollary, left-invariant Riemannian metrics with positive topological entropy are constructed on all quotients DT _n where D is a discrete subgroup of T _n and n 7.     

Degree of strata of singular cubic surfaces

We determine the degree of some strata of singular cubic surfaces in the projective space . These strata are subvarieties of the parametrizing all cubic surfaces in . It is known what their dimension is and that they are irreducible. In 1986, D. F. Coray and I. Vainsencher computed the degree of the 4 strata consisting on cubic surfaces with a double line. To work out the case of isolated singularities we relate the problem with (stationary) multiple-point theory.

     

A Test-Example of a Quadratic Lattice

We compute the subdirectly irreducible factors of the free Hermitean (semi)lattice generated by a single element a subject to the relation aa ; we also compute the factors of its induced distributive presentation.     

Graphs and Gromov hyperbolicity of non-constant negatively curved surfaces

In this paper we obtain the equivalence of the Gromov hyperbolicity between an extensive class of complete Riemannian surfaces with pinched negative curvature and certain kind of simple graphs, whose edges have length 1, constructed following an easy triangular design of geodesics in the surface.     

Abelian monopoles and complex geometry

Three remarks concerning the constructive properties of smooth 4-manifolds with nontrivial Seiberg-Witten invariants are presented. Translated fromMatematicheskie Zametki, Vol. 65, No. 3, pp. 420–428, March, 1999.     

Kamienny's criterion and the method of Coleman and Chabauty

This paper gives a new proof of Kamienny's Criterion using the method of Coleman and Chabauty.