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The present invention relates proteins from the group consisting of CNNM1, CNNM2, CNNM 3 and CNNM4, its derivatives or fragments thereof for use as a medicament, for treatment and or diagnostic purposes. The invention further relates to a human genomic DNA ...
In a region D in R-2 or R-3, the classical Euler equation for the regular motion of an inviscid and incompressible fluid of constant density is given by partial derivative(t)v + (v . del(x))v = -del(xP), div(x)v = 0, where v(t, x) is the velocity of the pa ...
We investigate how various treatments of exact exchange affect defect charge transition levels and band edges in hybrid functional schemes for a variety of systems. We distinguish the effects of long-range vs short-range exchange and of local vs nonlocal e ...
A quantum-continuum multiscale coupling of Kohn-Sham density functional theory to continuum material is presented that can handle mechanics problems in metals when long-range stress fields are present, such as occurs for dislocations and cracks. The method ...
An important branch of computer vision is image segmentation. Image segmentation aims at extracting meaningful objects lying in images either by dividing images into contiguous semantic regions, or by extracting one or more specific objects in images such ...
In this thesis we describe a path integral formalism to evaluate approximations to the probability density function for the location and orientation of one end of a continuum polymer chain at thermodynamic equilibrium with a heat bath. We concentrate on th ...
We introduce a density-functional perturbational scheme based on ultrasoft pseudopotentials for calculating dielectric tensors of periodic systems. We obtain a variational functional for the second-order derivative of the energy with respect to an electric ...
More than two dozen new CF3-substituted naphthalene derivs. were prepd. in an expedient way by employing 3- and 4-(trifluoromethyl)benzyne as the key intermediates. 2- And 4-Chlorobenzotrifluoride were treated with butyllithium and the organometallic speci ...
We add an effective atom-centered nonlocal term to the exchange-correlation potential in order to cure the lack of London dispersion forces in std. d. functional theory. Calibration of this long-range correction is performed using d. functional perturbatio ...
The influence of hyperbranched polymer grafted polypropylene (PP-HBP) on the interfacial adhesion between fusion bonded bilayers of polypropylene (PP) and polyamide 6 (PA6) and on the properties of PP/PA6 blends was investigated. The interfacial adhesion b ...
