Leon A Avakyan

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The molecular models of ferroelectric polymer polyvinylidene fluoride (PVDF) film, consisting from one, two chains [-CH2-CF2-]<sub>n</sub> and for PVDF unit cell are investigated in this work. HyperChem 7.5/8.0 for all modelings as for quantum calculations as well for molecular mechanics and molecular dynamic simulations (MD) were used. The first-principle(More)
The local aluminum structure in zeolite mordenite was studied at temperatures up to 1000 K in a vacuum by Al K-edge X-ray absorption near-edge structure (XANES) spectroscopy. The interatomic aluminum-oxygen distances and the number of coordinating oxygen atoms were determined by Fourier transform analyses of experimental Al K-edge XANES spectra and the fits(More)
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