using the gaussian 2003 software and mp2/ 6–311 ++ g** method for he: he, ne:ne andmp2/6-31g method for ar: ar, kr: kr and hf/sto-3g method for xe: xe, the optimizedinteraction energies between two like atoms of rare gases (he, ne, ar, kr and xe) as a functionof the distances between the centers of two considered atoms were evaluated and the resultswere interpreted according to the lennard – jo...

Using the Gaussian 2003 software and MP2/ 6–311 ++ G** method for He: He, Ne:Ne andMP2/6-31G method for Ar: Ar, Kr: Kr and HF/STO-3G method for Xe: Xe, the optimizedinteraction energies between two like atoms of rare gases (He, Ne, Ar, Kr and Xe) as a functionof the distances between the centers of two considered atoms were evaluated and the resultswere interpreted according to the Lennard – Jo...

We have previously presented a model for the distribution and transport of rare gases within the Earth [1,2,3,4] which explains the available observational data for mantle He, Ne, Ar, and Xe isotope compositions and provides specific prdctions regarding the rare gas isotopic compositions of the lower mantle, interactions between rare gas reservoirs, and mantle rare gas concentrations. Here we d...

TRAPPED ON THE MIR SPACE STATION AND ANALYZED BY IN VACUO ETCHING. H. Busemann, F. Bühler, Y.N. Agafonov, H. Baur, P. Bochsler, N.A. Eismont, V.S. Heber, R. Wieler and G.N. Zastenker. Physikalisches Institut, University of Bern, Switzerland. IKI, Russian Academy of Sciences, Moscow, Russia. Earth Sciences, ETH Zurich, Switzerland. Present addresses: Email: [email protected]. DTM, Carnegie I...

We study the growth of rare gases (Rg) Ne, Ar and Kr on coronene (Cor) molecules, Cor-(Rg) $$_N$$ . The is taken up to sizes N=60, we show global energy minima for those clusters. Improved Lennard-Jones atom-bond potentials are used represent Rg-Rg Rg-Cor interactions, respectively. Basin-Hopping (BH) optimization technique employed locate putative minimum structures. Results presented Cor-(Ne)...

Interaction potentialsof rare gases withmetal surfaces are calculated and compared with experimental data. A local dielectric function formalism and the density functional method are used in the calculation of the attractive and repulsive energies respectively. Depth and curvature variations of the potentials suggest a classification into light (He, Ne) and heavy rare gases. Sensitivity of the ...