Anomalous lattice dynamics and thermal behavior have been observed for ligand-free, size-, and shapeselected Pt nanoparticles NPs supported on nanocrystalline -Al2O3 via extended x-ray absorption finestructure spectroscopy. Several major differences were observed for the NPs with respect to bulk Pt: i a contraction in the interatomic distances, ii a reduction in the dynamic temperature-dependen...

The binding of an excess electron to HCN and HNC was studied at the coupled cluster level of theory with single, double, and noniterative triple excitations and with extended basis sets to accommodate the loosely bound excess electron. The HCN molecule, with a dipole moment of 3.05 Debye, binds an electron by 10 cm, whereas the HNC tautomer possesses a similar dipole moment ~3.08 Debye! and bin...

Astract ---New implementation of scattered field FDTD formulations of dispersive material are employed yielding accurate and mathematically compact procedures. This work is based on the application of the Z-transform on the Debye model representing the dispersion in conjunction with the relation between the electric field and the displacement current. The result is an approximate frequency doma...

the solubility of kno3 in the mixed solvent (water 85%+methanol 15%) were determined by using solvent evaporating method at different temperatures (25, 30, 40, 50, 60 ;c). in addition the equilibrium constant of ion pair formation, kip, for k+no3 – ion-pair on the basis of fuoss contact ion pair model was calculated. upon choosing the extended debye-hückel model for estimating the mean activity...

The extended universal quasichemical (UNIQUAC) model is a thermodynamic model for solutions containing electrolytes and nonelectrolytes. The model is a Gibbs excess function consisting of a Debye–Hückel term and a standard UNIQUAC term. The model only requires binary ion-specific interaction parameters. A unique choice of standard states makes the model able to reproduce solid–liquid, vapor–liq...

The solubility of KNO3 in the mixed solvent (water 85%+methanol 15%) were determined by using solvent evaporating method at different temperatures (25, 30, 40, 50, 60 ;C). In addition the equilibrium constant of ion pair formation, KIP, for K+NO3 – ion-pair on the basis of Fuoss contact ion pair model was calculated. Upon choosing the extended Debye-Hückel model for estimating the mean activity...

We have used polarized Cu K-edge extended x-ray absorption fine structure to investigate the local lattice displacements in the charge-ordered La1.48Nd0.4Sr0.12CuO4 system. The temperature-dependent distance broadening, given by the Debye-Waller factors of the Cu-O bonds measuring local lattice fluctuations, shows a clear steplike increase below the charge stripe order temperature. The results ...