The interstitial electron model

Article Abstract:

A study was conducted to analyze the bonding and electronic states for clusters of platinum atoms using first principles quantum mechanics. Single-point computations for additional 0-10 atom clusters were performed, including the optimum spin. Angle-resolved ultraviolet photemission spectroscopy was then carried out to determine the band structure of platinum. Results suggested that the location of interstitial bond orbitals is in half the tetrahedra in platinum.

Quantum theory, Quantum mechanics, Platinum, Atoms, Electrons, Organometallic compounds, Atomic orbitals

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A computational and conceptual DFT study on the Michaelis complex of p1258 arsenate reductase. Structural aspects and activation of the electrophile and nucleophile

Article Abstract:

Activation of the electrophile in the Michaelis complex of p1258 Arsc takes place by a charge transfer from arsenate to the enzyme during the formation of the enzyme-substrate complex. The theoretical model approach has been given an extra dimension in the explanation of experimental data.

Science & research, Enzymes, Other Basic Organic Chemical Manufacturing, Usage, Density functionals, Density functional theory, Charge transfer, Structure, Chemical properties

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