the potential energy surface of gaseous glycine determined years ago in the ab initio b3lyp/6-311++g** calculations is composed of thirteen stable conformers. we performed the ab initiomolecular orbital calculations as the starting point to carry out a force field and normal coordinatecalculation on the most stable conformer of non-zwitterionic glycine [conformer (i)]. thecalculations were carr...

Background: The Monte Carlo (MC) method is not only used for dose calculations around brachytherapy sources but also for benchmarking treatment planning systems (TPS) calculations. Materials and Methods: Three 60Co sources of GZP6 brachytherapy unit were simulated using MCNP4C MC Code. The radial dose functions were calculated by MC method and GZP6 TPS and were compared. Results: There was a go...

the vo(iv) complexes of tridentate ono schiff base ligands derived from 2- aminobenzoicacid and salicylaldehyde derivatives were synthesized and characterized by ir, uv–vis and elemental analysis. electrochemical properties of the vanadyl complexes were investigated by cyclic voltammetry. a good linear correlation was observed between the oxidation potentials and the electron-withdrawing charac...

the conditional formal potential, e°′of methyldopa has been studied by cyclic voltammetry at the surface of activated glassy carbon electrode (agce) as the working electrode in different ph phosphate buffered solutions. the experimental standard redox potential, e°′, of methyldopa is obtained to be 0.72 mv versus she (standard hydrogen electrode). e°′ values have also been calculated with the a...

the insertion of an olefinic c=c bond into a metal-carbon bond is of potential interest as a preparativeroute to new products and as results of c-c coupling reactions to organic compounds. the allyl compoundsof mg, react with an olefin by inversion of the allyl group via a six center transition state. these precyclicreactions may be one of the most important classes of organic reactions. the re...