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Isoelectronic dimers [(XH3)2, (YH2)2, (ZH)2, and (Rg)2] in the groups of the periodic system: ab initio quantum chemical calculations

100%

Hobza P. , Burda J. V. , Zahradnik R.

Polish Journal of Chemistry

1998

tom Vol. 72, nr 7S

1497-1504

The (ZH)2, (YH2)2, (XH3)2 and (Rg)2 dimers [Z=F-At; Y=O.Po; X=N, Bi; Rg=rare gas] were studied ab initio using the CCSD(T) and MP2 procedures. Average relativistic effective potentials were used for all the halogens, while Stuttgart effective core potentials were used for the remaining non-hydrogen atoms. All the (HX)2 structure are H-bonded. All the stabilization energies mutually approach when passing down the group of the periodic system.

Planar harmonic Green function for periodic elastic strips

84%

Danicki E.

Journal of Technical Physics

2007

tom Vol. 48, no 2

95-109

A system of periodic elastic strips (each one considered as a fragment of a plate) is characterized by a matrix relation between the Bloch series of displacements and stress at the bottom side of the system, which will remain in contact with the substrate supporting a propagating Rayleigh wave. The theory exploits the mechanical field representation in a spectral domain. It was found advantageous in formulation of the scattering problem for an elastic plate with stress-free cross-section, allowing us to apply ordinary boundary conditions instead of the variational ones. The result satisfies the energy conservation law with great accuracy, provided that sufficient number of complex modes are included in the solution. An algorithm is presented for modes evaluation; asymptotic properties of modes can be applied as well for higher modes. Perfect agreement of the proposed model with the experimentally verified perturbation model of thin strips is demonstrated.