185-187A direct semi-empirical inversion method has been developed that allows one to obtain a non-parametric potential from experimental data. The method is iterative and converges rapidly once a good choice has been made for the initial starting potential. The interaction potentials for the Kr-N2, Xe-N2 and He-SF6 systems have been estimated and compared with earlier obtained values. The results have been used to predict the diffusion coefficients for Kr- Ne
Ab initio MO calculations of intermolecular potentials using conventional Gaussian basis set have a ...
We present a theoretical study of the intermolecular potentials for the Ar, Kr, and Xe-CH 4, -CF 4 s...
We report on a direct method to measure the interatomic potential energy curve of diatomic systems. ...
The definition and computational aspects of the intermolecular potential energy function (hereafter...
A new method is reported for developing accurate two-body interatomic potentials from existing ab in...
The intermolecular potentials of H2, D2, F2, 02, N2 and C02 are examined using three independent est...
229-236An inversion procedure is used to obtain from extended principle of corresponding states, th...
The use of symmetry adapted perturbation theory to calculate intermolecular potentials in the import...
Intermolecular potential plays a dominant role in determining the properties of gases, liquids and s...
The regularity check and possibility estimation of the method suggested and the application of the m...
254-258The pair potential energy function of He- Kr has been determined using a direct in version ...
Accurate potentials for ground state krypton-krypton and xenon-xenon interactions are derived using ...
The use of intermolecular perturbation theory to rationalize intermolecular forces and to provide a ...
/1/ E. Zanger, V. Schmatloch, D. Zimmermann: J. Chem. Phys. 88 (1988) 5396 R. Br\""{u}hl, I. Kapeta...
A new potential model was developed in this work by the modification of the repulsive part of the Ta...
Ab initio MO calculations of intermolecular potentials using conventional Gaussian basis set have a ...
We present a theoretical study of the intermolecular potentials for the Ar, Kr, and Xe-CH 4, -CF 4 s...
We report on a direct method to measure the interatomic potential energy curve of diatomic systems. ...
The definition and computational aspects of the intermolecular potential energy function (hereafter...
A new method is reported for developing accurate two-body interatomic potentials from existing ab in...
The intermolecular potentials of H2, D2, F2, 02, N2 and C02 are examined using three independent est...
229-236An inversion procedure is used to obtain from extended principle of corresponding states, th...
The use of symmetry adapted perturbation theory to calculate intermolecular potentials in the import...
Intermolecular potential plays a dominant role in determining the properties of gases, liquids and s...
The regularity check and possibility estimation of the method suggested and the application of the m...
254-258The pair potential energy function of He- Kr has been determined using a direct in version ...
Accurate potentials for ground state krypton-krypton and xenon-xenon interactions are derived using ...
The use of intermolecular perturbation theory to rationalize intermolecular forces and to provide a ...
/1/ E. Zanger, V. Schmatloch, D. Zimmermann: J. Chem. Phys. 88 (1988) 5396 R. Br\""{u}hl, I. Kapeta...
A new potential model was developed in this work by the modification of the repulsive part of the Ta...
Ab initio MO calculations of intermolecular potentials using conventional Gaussian basis set have a ...
We present a theoretical study of the intermolecular potentials for the Ar, Kr, and Xe-CH 4, -CF 4 s...
We report on a direct method to measure the interatomic potential energy curve of diatomic systems. ...