A study of the [C6 H6 Ir(PH3 )3 ]+ iridatropylium cation structure based on frontier orbital analysis, thermodynamic analysis, and natural bond orbital (NBO) theory is the main aim of the present research. Also, HOMO, LUMO energies, hardness, electrophilicity and chemical potential were calculated. Structural analysis indicated the optimized geometry shows a good agreement with the experimental...

concentrations of several solutes – nitrate, arsenic, sulfate, boron, chloride, and bromide – along with total dissolved solids (tds) in ten counties bordering the brazos river in east-central texas were compiled, mapped, and analyzed relative to regional land use and geology. agriculture and oil/gas production are major activities and potential sources of groundwater contamination in the study...

We examine the structure of the potential energy of 2+1-dimensional Yang-Mills theory on a torus with gauge group SU(2). We use a standard definition of distance on the space of gauge orbits. A curve of extremal potential energy in orbit space defines connections satisfying a certain partial differential equation. We argue that the energy spectrum is gapped because the extremal curves are of fi...