Corundum, a-Al2O3, is the thermodynamically stable phase of coarsely crystalline aluminum oxide, but syntheses of nanocrystalline Al2O3 usually result in g-Al2O3. Adsorption microcalorimetry, thermogravimetric analyses, and Brunauer-Emmett-Teller adsorption experiments, coupled with recently reported high-temperature solution calorimetry data, prove that g-Al2O3 has a lower surface energy than ...

Stability of the ;-; stacking interactions in the substituted-coronene||cyclooctatetraene complexes wasstudied using the computational quantum chemistry methods (where || denotes ;–; stackinginteraction, and substituted-coronene is coronene which substituted with four similar X groups; X =OH, SH, H, F, CN, and NO). There are meaningful correlations between changes of geometricalparameters and t...

The paper presents the relative stability behavior of the GaAs MESFET under varied illumination and frequency. The model of the device is developed in MATLAB and explains the shifts in the pole positions of transfer function with illumination and frequency for the first time. The variations of minority carrier life time and signal to noise ratio various optical illuminations under different fre...

We consider relative equilibria in symmetric Hamiltonian systems, and their persistence or bifurcation as the momentum is varied. In particular, we extend a classical result about persistence of relative equilibria from values of the momentum map that are regular for the coadjoint action, to arbitrary values, provided that either (i) the relative equilibrium is at a local extremum of the reduce...

We have applied our previously reported model of silica based on low coordination and strong association [J. Chem. Phys. 121, 8415 (2004)], to the calculation of phase stability of zeolite frameworks SOD, LTA, MFI, and FAU as silica polymorphs. We applied the method of Frenkel and Ladd for calculating free energies of these solids. Our model predicts that the MFI framework structure has a regim...

We present a combined experimental and theoretical study of ruthenium doped germanium clusters, RuGen(-) (n = 3-12), and their corresponding neutral species. Photoelectron spectra of RuGen(-) clusters are measured at 266 nm. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) are obtained. Unbiased CALYPSO structure searches confirm the low-lying structures of anion...

Large biomolecules-proteins and nucleic acids-are composed of building blocks which define their identity, properties and binding capabilities. In order to shed light on the energetic side of interactions of amino acids between themselves and with deoxyribonucleotides, we present the Amino Acid Interaction web server (http://bioinfo.uochb.cas.cz/INTAA/). INTAA offers the calculation of the resi...

In a previous paper, the convergence of a new effective field theory and density functional theory (EFT/DFT) approach to the description of the nuclear many-body system was studied. The most sophisticated parameter set (here G1) determined by Furnstahl, Serot and Tang from a fit along the valley of stability was found to provide quantitative predictions for total binding energies and single-par...

Two polyoxometalate Keggin-type anions, alpha-PM12O40(3-) (M = Mo, W), were transferred to the gas phase by electrospray; their electronic structure and stability were probed by photoelectron spectroscopy. These triply charged anions were found to be highly stable in the gas phase with large adiabatic electron detachment energies of 1.7 and 2.1 eV for M = Mo and W, respectively. The magnitude o...