Electronic structure and low-lying electronic states of Al3O and Al3O-: photoelectron spectrum of Al3O-

Article Abstract:

Hartree-Fock, density functional and coupled-cluster doubles methods were used to calculate the equilibrium geometries of the ground electronic state of Al3O and Al3O-. The calculated global minima had C2 upsilon symmetry with (b2)1 2B2 and (b2)2 1A1 configurations, respectively. The global minimum of the lowest triplet state of Al3O- was found to have D3h symmetry with an (e')2 3A2' electron configuration. This triplet minimum was found to have slightly higher energy than the (super 1)A(sub 1) state at its C2 upsilon global minimum.

Molecules, Photoelectron spectroscopy, Electron configuration

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Mathematical model of current-polarized ionophore-based ion-selective membranes

Article Abstract:

The effects of constant current on ion-selective membranes using theta function are examined using a mathematical model. The model gives analytical solutions for determining the free ionophore, ion-ionophore complex and anion diffusion coefficients in ion-selective membranes and predicts the Membrane potentialand electric field inside the membrane with the application of constant current.

Science & research, Usage, Measurement, Mathematical models, Electric fields, Ionophores, Membrane potentials, Membrane potential

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