Related papers: Decomposition of formic acid
Universal Deformation Formulas (UDFs) for the deformation of associative algebras play a key role in deformation quantization. Here we present examples for certain classes of infinitesimals. A basic representable 2-cocycle $F$ of an…
We briefly summarize the reported anomalous effects in deuterated metals at ambient temperature, commonly known as "Cold Fusion" (CF), with an emphasis on important experiments as well as the theoretical basis for the opposition to…
Enhancement of the chemical activity of graphene is evidenced by first-principles modelling of chemisorption of the hydrogen, fluorine, oxygen and hydroxyl groups on strained graphene. For the case of negative strain or compression,…
Copper-based catalysts play a crucial role in industrial oxidation reactions. Although many theoretical studies consider copper to be metallic, it is well established that copper readily oxides at ambient conditions, forming a passivating…
Trapped and cooled gases of alkali atoms can be manipulated to exhibit a variety of interesting phenomena. For example, dilute gases of fermionic atoms, in 2 hyperfine states, can be cooled to temperatures where they become superfluid. An…
If metal surfaces are exposed to sufficiently oxygen-rich environments, oxides start to form. Important steps in this process are the dissociative adsorption of oxygen at the surface, the incorporation of O atoms into the surface, the…
We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we…
Through a simple procedure based on the Lu-Chipman decomposition [S-Y. Lu and R. C. Chipman, J. Opt. Soc. Am A 13, 1106 (1996)] any depolarizing Mueller matrix can be transformed into a reduced form which accumulates the depolarization and…
We demonstrate the opportunities of first-principles density functional theory (DFT) calculations for the development of new metallurgical refining processes. As such, a methodology based on DFT calculations is developed to discover new…
The metal-organic (MO) compound titanium(IV)-isopropoxide (Ti(OiPr)4, TTIP) has tremendous technological relevance for thin film growth and coating technologies, offering a low-temperature deposition route for titania and…
A recent experiment reported for the first time the preparation of a Fermi degenerate gas of polar molecules and observed a suppression of their chemical reaction rate compared to the one expected from a purely classical treatment. While it…
We have investigated solid oxygen as a converter material for the production of ultra-cold neutrons. In a first series of experiments the crystal preparation was examined. An optically semi-transparent solid $\alpha$-oxygen crystal has been…
The possible formation of oxides or thin oxide films (surface oxides) on late transition metal surfaces is recently being recognized as an essential ingredient when aiming to understand catalytic oxidation reactions under technologically…
Recent analyses of the field enhancement factor (FEF) from multiple emitters have revealed that the depolarization effect is more persistent with respect to the separation between the emitters than originally assumed. It has been shown…
We consider diquark condensation in external chromomagnetic fields at non--zero temperature. The general features of this process are investigated for various field configurations in relation to their symmetry properties and the form of the…
The oxidation and corrosion of metals are fundamental problems in materials science and technology that have been studied using a large variety of experimental and computational techniques. Here we review some of the recent studies that…
Deuterium fractionation is considered as an important process to infer the chemical ages of prestellar cores in filaments. We present here the first magneto-hydrodynamical simulations including a chemical network to study deuterium…
The D^+ --> omega + pi^+ decay is studied by decomposing its amplitude into a sum of factorizable and non-factorizable ones. Its rate is predicted as a function of mass and width of a hypothetical hybrid meson.
The excitation spectrum of specific conformal field theories (CFT) with central charge $c=1$ can be described in terms of quasi-particles with charges $Q=-p,+1$ and fractional statistics properties. Using the language of Jack polynomials,…
Fast Fourier Transform (FFT) is an efficient algorithm to compute the Discrete Fourier Transform (DFT) and its inverse. In this paper, we pay special attention to the description of complex-data FFT. We analyze two common descriptions of…