structural and magnetic properties of purine and pyrimidine nucleotides (cmp, ump, dtmp, amp, gmp, imp) were studied at different levels of ab initio molecular orbital theory. these calculations were performed at the hartree-fock level and density functional b3lyp methods. geometries were fully optimized by following cs symmetry restrictions. the standard 6-31g** basis set which includes polari...

A few extremely halophilic Archaea (Halobacterium salinarum, Haloquadratum walsbyi, Haloferax mediterranei, Halorubrum vacuolatum, Halogeometricum borinquense, Haloplanus spp.) possess gas vesicles that bestow buoyancy on the cells. Gas vesicles are also produced by the anaerobic endospore-forming halophilic Bacteria Sporohalobacter lortetii and Orenia sivashensis. We have extensive information...

Aims. The chemistry, distribution and mass of the gas in the transitional disk around the 5 Myr old B9.5 V star HD 141569A are constrained. Methods. A quasi 2-dimensional (2D) chemistry code for photon dominated regions (PDR) is used to calculate the chemistry and gas temperatures in the disk. The calculations are performed for several gas distributions, PAH abundances and values of the total g...