A Mw 7.1 earthquake struck the Eastern Anatolia, near the city of Van (Turkey), on 23 October 2011. We investigated the coseismic surface displacements using the InSAR technique, exploiting adjacent ENVISAT tracks and COSMO-SkyMed images. Multi aperture interferometry was also applied, measuring ground displacements in the azimuth direction. We solved for the fault geometry and mechanism, and w...

How quantum spectroscopic simulations can explain water solvation by comparison with experimental spectra.

As the field of structural genomics matures, new methods will be required that can accurately and rapidly distinguish reliable structure predictions from those that are more dubious. We present a method based on the CHARMM gas phase implicit hydrogen force field in conjunction with a generalized Born implicit solvation term that allows one to make such discrimination. We begin by analyzing pair...

A new algorithm for ship wake detection is developed with the aim of ship heading and velocity estimation. It exploits the Radon transform and utilizes merit indexes in the intensity domain to validate the detected linear features as real components of the ship wake. Finally, ship velocity is estimated by state-of-the-art techniques of azimuth shift and Kelvin arm wavelength. The algorithm is a...

Abstract The energy profiles for ring opening of representative type B mesoionic 2,3-diphenyl-1,2,3,4-tetrazolium-5-olates, -thiolates, -aminides and –methylides alternative recyclisation pathways are investigated using ab initio MP2 calculations. energetics initial found to be comparable all systems, but the tetrazolium-5-olates anomalous in that no reaction pathway is accessible. influence so...

On time scales of a nanosecond or less, radiolytically-generated excess electrons in ionic liquids undergo solvation processes and reactions that determine all subsequent chemistry and the accumulation of radiolytic damage. Using picosecond pulse radiolysis detection methods, we observed and quantified the solvation response of the electron in 1-methyl-1-butyl-pyrrolidinium bis (trifluoromethyl...

Hydride transfer changes the charge structure of the reactant and thus, may induce reorientation/reorganization of solvent molecules. This solvent reorganization may in turn alter the energetics of the reaction. In the present work, we investigate the intramolecular hydride transfer by taking Lewis acid catalyzed glucose to fructose isomerization as an example. The C2-C1 hydride transfer is the...

this study is about complexes of li doped silicon carbide nanotube with thymine and cytosine ingas phase and aqueous solutions. li doped silicon carbide nanotube and its pyrimidine nucleobasecompounds were first modeled by quantum mechanical calculations in gas phase and in water.calculated binding energies indicated the stronger ability of thymine to functionalize silicon carbidenanotube than ...

Treating water as a linearly responding dielectric continuum on molecular length scales allows very simple estimates of solvation structure and thermodynamics for charged polar solutes. While this approach can successfully account basic energy ion solvation, computer simulations indicate not only its quantitative inaccuracies but also inability to capture some important aspects microscopic pola...