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Ab-inition Study of Structural Stability and Magnetism in Ni2CuSn
BM - Fyzika pevných látek a magnetismus
- 1996 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Experimental and Theoretical Description of Transition Metal Ion Structures in Zeolites Relevant to deNOx Catalysis.
Pertubation of the zeolite frameworks (MFI, FER and BEA) by cations were identified by FTIR measurements and modeled by ab inition quantum chemical calculations....
CF - Fyzikální chemie a teoretická chemie
- 2000 •
- D
Rok uplatnění
D - Stať ve sborníku
An Inition Calculations of NMR chemical Shifts in Biomolecular Systems
N/A...
CF - Fyzikální chemie a teoretická chemie
- 2000 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
The crystal structure of Co2P from X-ray powder diffraction and its mineralogical applications.
The structure of stoichiometric Co2P was solved ab initio from powder diffraction data. Co2P is orthorhombic, space group Pnma. Unit-cell dimensions refined form powder data are a= 5.6479(č), b=3.5129(2), c=6.6078(4) A, V= 131.10(1)...
DB - Geologie a mineralogie
- 2001 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Exchange coupling in Eu compounds
Using ab inition electronic calculation we have investigated the exchange coupling in EuO, EuS, EuSe, EuTe and metal BCC Eu. The total energies were mapped on the Heisenberg Hamiltonian. The mechanisms of inter-site exchange are dis...
BM - Fyzika pevných látek a magnetismus
- 2005 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Energetics of displacive phase transformation in iron from first principles
The pressure-induced bcc-hcp transformation in iron is studied ab initio by following a constant-volume one-parameter transformation path. The calculations are performed in the generalized gradient approximation (GGA). It is shown that the a...
BM - Fyzika pevných látek a magnetismus
- 1999 •
- D
Rok uplatnění
D - Stať ve sborníku
Multiscale modelling of nanoindentation test in nickel crystal
The nanoindentation test in the dislocation free crystal of nickel is simulated by nonlinear elastic nonlinear elastic finite element analysis coupled with both ab inition calculations of the ideal shear strength and crystallographi...
BM - Fyzika pevných látek a magnetismus
- 2007 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
An incommensurately modulated structure of eta '-phase of Cu3+xSi determined by quantitative electron diffraction tomography
The diffraction data of eta´-Cu(3+x)(Si,Ge) were collected by 3D quantitative electron diffraction tomography on a submicrometer-sized sample, and the structure dimensions. The modulated structure can be described as sheets of Cu cl...
BM - Fyzika pevných látek a magnetismus
- 2011 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Measurement and Long-term Observation of Cracks in Concrete Bridges
The initation and development of cracks can provide an indication of important problems in concrete pavements, floors, bridges and other engineering structures. Crack initation reduces not only the durability of structu...
JN - Stavebnictví
- 2008 •
- D
Rok uplatnění
D - Stať ve sborníku
AB INITIO determination of incommensurately modulated structures by charge flipping in superspace
The charge flipping proposed by Oszlányi&Süto [Acta Cryst.(2004) A60, 134-141] for AB INITIO reconstruction of crystal structures is generalized towards superspace. Its efficiency is demonstrated by successful reconstruction of eigh...
BM - Fyzika pevných látek a magnetismus
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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