Search results for "init"
showing 10 items of 6629 documents
On groups having a p-constant character
2020
Let G G be a finite group, and p p a prime number; a character of G G is called p p -constant if it takes a constant value on all the elements of G G whose order is divisible by p p . This is a generalization of the very important concept of characters of p p -defect zero. In this paper, we characterize the finite p p -solvable groups having a faithful irreducible character that is p p -constant and not of p p -defect zero, and we will show that a non- p p -solvable group with this property is an almost-simple group.
Strange and charm mesons at FAIR
2010
Presented at the XXXI Mazurian Lakes Conference on Physics, Piaski, Poland, August 30–September 6, 2009.
The structure of charoite, (K,Sr,Ba,Mn)(15-16)(Ca,Na)(32)[(Si-70(O,OH)(180))](OH,F)(4.0)center dot nH(2)O, solved by conventional and automated elect…
2010
AbstractCharoite, ideally (K,Sr,Ba,Mn)15–16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0·nH2O, a rare mineral from the Murun massif in Yakutiya, Russia, was studied using high-resolution transmission electron microscopy, selected-area electron diffraction, X-ray spectroscopy, precession electron diffraction and the newly developed technique of automated electron-diffraction tomography. The structure of charoite (a= 31.96(6) Å,b= 19.64(4) Å,c= 7.09(1) Å, β = 90.0(1)°,V= 4450(24) Å3, space groupP21/m) was solvedab initioby direct methods from 2878 unique observed reflections and refined toR1/wR2= 0.17/0.21. The structure can be visualized as being composed of three different dreier silicate chains: a d…
Numerical investigations of single mode gyrotron equation
2009
A stationary problem with the integral boundary condition arising in the mathematical modelling of a gyrotron is numerically investigated. The Chebyshev's polynomials of the second kind are used as the tool of calculations. The main result with physical meaning is the possibility to determine the maximal value of electrons efficiency. First published online: 14 Oct 2010
Characterization of the trimeric, self-recognizing Geodia cydonium lectin I.
1983
A D-galactose-specific lectin I was extracted from the sponge Geodia cydonium and purified by affinity chromatography. The molecular weight of lectin I as determined by high-pressure liquid gel chromatography, was found to be 36500 +/- 1300. Disc gel electrophoresis in the presence and in the absence of sodium dodecyl sulfate showed that lectin I is a trimer composed of three different subunits (Mr: 13800, 13000 and 12200); two of the three subunits are linked by one disulfide bond. Isoelectric focusing gave a pI of 5.6 for the native molecule and a pI of 4.4 and of 7.4 for the subunits. The three subunits carry carbohydrate side chains, composed of D-galactose (94%) and of arabinose (5%). …
High-performance and ion-exchange chromatography and chromatofocusing of the human uterine progesterone receptor: its application to the identificati…
1984
Two independent lines of evidence were used to identify the human uterine progesterone receptor. First, three differently tritiated progestogens (Org 2058, R 5020, progesterone) were used for reversible labelling of the receptor. Secondly, the highly potent affinity label 21-[3H]dehydro Org 2058 was used to label covalently the steroid-specific binding site of the receptor. The labelled cytosols were chromatographed on a Mono Q high-performance anion-exchange column in the absence or presence of a high molar excess of the respective unlabelled competitor steroids. In the case of 21-[3H]dehydro Org 2058, Org 2058 was used as the unlabelled competitor. After elution with a NaCl gradient, the …
Nucleation mechanism for the direct graphite-to-diamond phase transition
2011
Graphite and diamond have comparable free energies, yet forming diamond from graphite is far from easy. In the absence of a catalyst, pressures that are significantly higher than the equilibrium coexistence pressures are required to induce the graphite-to-diamond transition. Furthermore, the formation of the metastable hexagonal polymorph of diamond instead of the more stable cubic diamond is favored at lower temperatures. The concerted mechanism suggested in previous theoretical studies cannot explain these phenomena. Using an ab initio quality neural-network potential we performed a large-scale study of the graphite-to-diamond transition assuming that it occurs via nucleation. The nucleat…
Theoretical study of new acceptor and donor molecules based on polycyclic aromatic hydrocarbons
2011
Functionalized polcyclic aromatic hydrocarbons (PAHs) are an interesting class of molecules in which the electronic state of the graphene-like hydrocarbon part is tuned by the functional group. Searching for new types of donor and acceptor molecules, a set of new PAHs has recently been investigated experimentally using ultraviolet photoelectron spectroscopy (UPS). In this work, the electronic structure of the PAHs is studied numerically with the help of B3LYP hybrid density functionals. Using the DELTA-SCF method, electron binding energies have been determined which affirm, specify and complement the UPS data. Symmetry properties of molecular orbitals are analyzed for a categorization and a…
Nuclear quantum effects in liquid water from path-integral simulations using anab initioforce-matching approach
2014
We have applied path integral simulations, in combination with new ab initio based water potentials, to investigate nuclear quantum effects in liquid water. Because direct ab initio path integral simulations are computationally expensive, a flexible water model is parameterized by force-matching to density functional theory-based molecular dynamics simulations. The resulting effective potentials provide an inexpensive replacement for direct ab inito molecular dynamics simulations and allow efficient simulation of nuclear quantum effects. Static and dynamic properties of liquid water at ambient conditions are presented and the role of nuclear quantum effects, exchange-correlation functionals…
Identity Double-Proton Transfer in (3Z)-3-Hydroxy-1,4-di(quinolin-2-yl)but-3-en-2-one
2003
Although there is a very fast (on the NMR timescale) double-proton transfer in (1Z,3Z)-3-hydroxy-4-quinolin-2-yl-1-quinolin-2(1H)-ylidenbut-3-en-2-one (the product of the condensation of ethyl oxalate with 2-lithiomethylquinoline), it is the only species present in chloroform solution. Comparison of the product of condensation of ethyl oxalate with 2-lithiomethyl derivatives of pyridine (recent studies) and quinoline (present studies) shows that benzoannulation considerably affects the tautomeric equilibrium. The observed changes are not only quantitative but also qualitative. Moreover, contrary to the proton transfer in the pyridine tautomers, this process is fast in the quinoline tautomer…