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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 286 (1978), S. 169-171 
    ISSN: 1434-601X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The modification of the two center screened electronic Coulomb potential due to relativistic kinematical effects is investigated in the Coulomb gauge. Both nuclear and electronic charges were approximated by Gaussian distributions. For ion velocitiesv/c =0.1 the effect may roughly be approximated by a 0.1 % increase in the effective strength for the monopole term of the two center potential. Thus for ion kinetic energies not exceeding a few MeV/nucleon this relativistic contribution induces small effects on the binding energy of the 1σ-electrons except for super critical charges.
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 304 (1982), S. 79-83 
    ISSN: 1434-601X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Ab initio self-consistent DFS calculations are performed for five different symmetric atomic systems from Ar-Ar to Pb-Pb. The level structure for the 2p π - 2p σ crossing as function of the united atomic chargeZ u is studied and interpreted. Manybody effects, spin-orbit splitting, direct relativistic effects as well as indirect relativistic effects are differently important for differentZ u. For the I-I system a comparison with other calculations is given.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Fresenius' Zeitschrift für analytische Chemie 292 (1978), S. 381-384 
    ISSN: 1618-2650
    Keywords: Best. von Aminen, aromat. ; Chromatographie, Dünnschicht ; Remissionsmessung
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Es wird eine Methode zur quantitativen Bestimmung von aromatischen Aminen beschrieben. Diese werden dünnschicht-chromatographisch auf Kieselgel 60 F254 Fertigplatten in den Laufmitteln n-Propanol/Methanol/Wasser/Eisessig (65∶15∶15∶20; Vol.) oder n-Butanol/Wasser/Eisessig (66∶17∶17; Vol.) von den Begleitstoffen abgetrennt. Die getrennten Aminflecke werden entweder im Ultraviolett-Bereich oder nach Diazotierung im sichtbaren Bereich mit dem Chromatogramm-Spektralphotometer PMQ II nach der Remissionsmethode gemessen und anhand der auf derselben Platte aufgestellten Eichgerade ausgewertet. Die quantitative Bestimmung wird anhand der beiden Amine 5-Amino-2,4,6-trijod-isophthalsäurebis-(2,3-dihydroxy-propyl-N-methylamid) (I) und 2,4,6-Trijod-3-aminobenzoesäure (II) in Röntgenkontrastmittelpräparaten (RKP) demonstriert. Sowohl im UV- als auch im sichtbaren Bereich, läßt sich in 3000 μg RK-Säure (RKS) noch 0,1 μg freies aromatisches Amin, das sind 0,003%, bezogen auf die eingesetzte Menge RKS, mit einer maximalen relativen Standardabweichung von 4% bestimmen. Diese Methode ist spezifischer und empfindlicher als die der Diazotierung in Lösung.
    Notes: Summary The aromatic amines are separated from impurities by thin-layer chromatography on silica gel 60 F254 precoated plates in the mobile solvents n-propanol/methanol/water/glacial acetic acid (65∶15∶15∶20; vol.) or n-butanol/water/glacial acetic acid (66∶17∶17; vol.). The separated amine spots are measured by the remission method by means of the TLC densitometer PMQ II, either in the u.v. region or, after diazotization, in the visible region, and evaluated on the basis of the linear calibration curve set up on the same plate. Quantitative determination is demonstrated by means of the two amines, 5-amino-2,4,6-triiodoisophthalic acid-bis-(2,3-dihydroxypropyl-N-methylamide) (I) and 2,4,6-triiodo-3-aminobenzoic acid (II), in radiopaque contrast media (RCM). Both in the u.v. and visible regions, it is still possible to determine 0.1 μg of free aromatic amine in 3000 μg of radiopaque contrast medium acid (RCA), or 0.003% in terms of the amount of RCA used, with a maximum relative standard deviation of 4%. This method is more specific and more sensitive than that of diazotization in solution.
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 297 (1980), S. 101-104 
    ISSN: 1434-601X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Total energy SCF calculations were performed for noble gas difluorides in a relativistic procedure and compared with analogous non-relativistic calculations. The discrete variational method with numerical basis functions was used. Rather smooth potential energy curves could be obtained. The theoretical Kr-F and Xe-F bond distances were calculated to be 3.5 a.u. and 3.6 a.u. which should be compared with the experimental values of 3.54 a.u. and 3.7 a.u. Although the dissociation energies are off by a factor of about five it was found that ArF2 may be a stable molecule. Theoretical ionization energies for the outer levels reproduce the experimental values for KrF2 and XeF2 to within 2 eV.
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 318 (1984), S. 369-370 
    ISSN: 1434-601X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Using a relativistic molecular DFS code we have calculated a self-consistent many electron relativistic correlation diagram of the system Cl-Ar. The resulting energy for the 2pπ-1sσ transition is in complete agreement with the experimental results of Schuch et al./1/. This definitely confirms their claim that they are able to measure this quantity from interference structures observed in quasi-molecular K-X-ray spectra.
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 21 (1991), S. S293 
    ISSN: 1434-6079
    Keywords: 34.10.+x
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We performedab initio calculations of many particle inclusive probabilities for the scattering system 16 MeV-S16+ on Ar. The solution of the time-dependentDirac-Fock-Slater-equation is achieved via a set of coupled-channel equations with energy eigenvalues and matrix elements which are given by static SCF molecular many electron calculations.
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 22 (1992), S. 641-644 
    ISSN: 1434-6079
    Keywords: 31.20.Ej ; 36.40.+d
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The electronic states of small Al n (n=2–8) clusters have been calculated with a relativistic ab-initio MO-LCAO Dirac-Fock-Slater method using numerical atomic DFS wave-functions. The excitation energies were obtained from a ground state calculation of neutral clusters, and in addition from negative clusters charged by half an electron in order to account for part of the relaxation. These energies are compared with experimental photo-electron spectra.
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  • 8
    ISSN: 1434-6079
    Keywords: 31.20.Di ; 32.30Jc
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We present the first observation of optical transitions between doubly excited doublet states in the term systems N V, O VI and F VII. The spectra were produced by foil excitation of fast ion beams. The assignment of the spectral lines was made by comparison with the results of MCDF calculations along the isoelectronic sequence. The same method also led to the identification of two 3d – 4f quartet transitions in Mg X.
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 25 (1992), S. 17-21 
    ISSN: 1434-6079
    Keywords: 31.20 ; 34.70
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Using the independent particle model as our basis we present a scheme to reduce the complexity and computational effort to calculate inclusive probabilities in many-electron collision system. As an example we present an application toK−K charge transfer in collisions of 2.6 MeV Ne9+ on Ne. We are able to give impact parameter-dependent probabilities for many-particle states which could lead toKLL-Auger electrons after collision and we compare with experimental values.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Hyperfine interactions 108 (1997), S. 89-94 
    ISSN: 1572-9540
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Using an R-dependent atomic basis for static molecular calculations we get accurate single particle energies and dynamic coupling matrix elements. We present our ab initio calculations of inner shell vacancy production for the scattering systems Ni11+-Pb at 1.5 MeV/N and Pb42+-Ni at 1.4 MeV/N.
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