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...

BCN compounds have been researched theoretically and experimentally widely. In this paper, weintroduce the theoretical prediction of ternary B-C-N compounds. NMR spectroscopy was employedextensively to study these ternary nanostructures. We discuss the utilization of chemical shiftinformation as well as ab initio calculations of nuclear shielding for H20134C9N4 structuredetermination. We calcul...

‎the purpose of this paper is to introduce a new mapping for a finite‎ ‎family of accretive operators and introduce an iterative algorithm‎ ‎for finding a common zero of a finite family of accretive operators‎ ‎in a real reflexive strictly convex banach space which has a‎ ‎uniformly g^ateaux differentiable norm and admits the duality‎ ‎mapping $j_{varphi}$‎, ‎where $varphi$ is a gauge function ...