The one-dimensional model of Lippincott and Schroeder for hydrogen bond has Been re-examined and it has been shown that O-H bond distance depends on repulsive van der Waals and attractive electrostatic potentials.it has been shown that constant b in the van der Waals repulsion potential is not transferable to all hydrogen bonds. The possibility of obtaining the semi-empircal parameters i...

We present rigorous simulations of EUV masks with technological imperfections like side-wall angles and corner roundings. We perform an optimization of two different geometrical parameters in order to fit the numerical results to results obtained from experimental scatterometry measurements. For the numerical simulations we use an adaptive finite element approach on irregular meshes. This gives...

This paper describes the contact formation modeling for the identification of geometrical parameters (positions, orientations and dimensions) of rigid polyhedral objects in contact during the force-controlled execution of contact formation sequences. Following improvements with respect to the state of the art are made: (i) the modeling effort is reduced considerably, (ii) the generation of the ...

We discuss the relation between ‘bare’ cosmological parameters as the true spatial average characteristics that determine the cosmological model, and the parameters interpreted by observers with a “Friedmannian bias”, i.e., within a homogeneous space geometry. We may say that the latter are ‘dressed’ by the smoothed–out geometrical inhomogeneities of the surveyed spatial region. We identify two...

In order to reduce the dipole wake encountered by the first few bunches accelerated in a multi-bunch NLC scenario the DDS (damped detuned structure) was re-designed such that a much improved Gaussian fall-off occurs in the initial wake-function. From the 9 parameterised model of DDS1 we use a mapping function to allow DDS 3 & 4 to be modeled and hence avoid additional and prohibitively time con...

Detailed analysis of the one-photon mass-analyzed threshold ionization (MATI) spectrum of CH(2)ClI is presented. This includes the determination of the ionization energy of CH(2)ClI, complete vibrational assignments, and quantum-chemical calculations at the spin-orbit density-functional-theory (SODFT) level with various basis sets. Relativistic effective core potentials with effective spin-orbi...

abstract the structural and electrostatic properties of the single-walled two representative (8, 0) zigzag and (4, 4) armchair models of pristine and gaas-doped on boron phosphide nanotubes (bpnts) was investigated by calculating the nuclear magnetic resonance tensors and with performing the density function theory. the geometrical structures of all representative pristine and gaas-doped models...