the energy minima of systems made of an alanine molecule, a lithium cation and a various number of watermolecules have been determined with the help of quantum mechanical computations at the b3lyp densityfunctional theory level of computation and the standard 6-311++g (d,p) basis set. several structures, close inenergy are found and the presence of one or two water molecules around the cation m...

The energy minima of systems made of an alanine molecule, a lithium cation and a various number of watermolecules have been determined with the help of quantum mechanical computations at the B3LYP DensityFunctional Theory level of computation and the standard 6-311++G (d,p) basis set. Several structures, close inenergy are found and the presence of one or two water molecules around the cation m...

the complexation reaction between hydroxyl ammonium (honh3+ ) cation with 18-crown-6 (18c6) ligand was studied in dimethylsulfoxide – water (dmso-h2o), methanol – water (meoh-h2o) and dimethylformamid – methanol (dmf-meoh), binary solutions at different temperatures using conductometric method. the obtained results show that the stoichiometry of the complex formed between honh3+ cation with (18...

in the present study, the cooperative and diminutive interplay between halogen, hydride, and cation-σ interactions are studied in hmgh···li+(na+)···nccl, li+(na+)···hmgh···clcn and hmgh···clcn···li+(na+) complexes by means of ab initio calculations. to better understand the cooperative or diminutive effects in the ternary systems, the corresponding binary complexes are also considered. the esti...

heterogeneous proton exchange membranes (pem) are synthesized using the dry phase inversion technique. the casting solutions are prepared by dispersing a finely ground cation exchange resin particle in n,n-dimethylacetamide (dmac) solution of polyvinyl-chloride (pvc). results show that ion exchange capacity is increased with the addition of 1 %-wt nanosilica (from 0.14 to 0.27 meq/g) while it i...