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  • 1990-1994  (3)
  • Transition metals  (2)
  • Langendorff preparation  (1)
  • 61.70
  • 1
    Electronic Resource
    Electronic Resource
    Energy-adjustedab initio pseudopotentials for the second and third row transition elements (1990)
    Springer
    Theoretical chemistry accounts 77 (1990), S. 123-141 
    Details
    ISSN: 1432-2234
    Keywords: Pseudopotentials ; Spin-orbit operator ; Transition metals
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Nonrelativistic and quasirelativisticab initio pseudopotentials substituting the M(Z−28)+-core orbitals of the second row transition elements and the M(Z−60)+-core orbitals of the third row transition elements, respectively, and optimized (8s7p6d)/[6s5p3d]-GTO valence basis sets for use in molecular calculations have been generated. Additionally, corresponding spin-orbit operators have also been derived. Atomic excitation and ionization energies from numerical HF as well as from SCF pseudopotential calculations using the derived basis sets differ in most cases by less than 0.1 eV from corresponding numerical all-electron results. Spin-orbit splittings for lowlying states are in reasonable agreement with corresponding all-electron Dirac-Fock (DF) results.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01114537
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Energy-adjustedab initio pseudopotentials for the second and third row transition elements: Molecular test for M2 (M=Ag, Au) and MH (M=Ru, Os) (1991)
    Springer
    Theoretical chemistry accounts 78 (1991), S. 247-266 
    Details
    ISSN: 1432-2234
    Keywords: Pseudopotentials ; Transition metals
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Recently published nonrelativistic and quasirelativistic energy-adjustedab initio pseudopotentials representing the M(Z−28)+ cores of the second row transition metal atoms and the M(Z−60)+ cores of the third row transition metal atoms have been tested in SCF, CI(SD) and CEPA1 calculations of the spectroscopic constants (R e ,D e , and ω e ) of the ground states of the neutral and singly charged silver and gold dimers, and in state averaged CASSCF and multi-reference CI(SD) calculations of the spectroscopic constants (R e ,D e , ω e , μ e , ∂μ/∂R). Comparison is made with experimental and reliable theoretical data where available; in the case of the hydrides, additional calculations with pseudopotentials published by other groups have been made for comparison.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01112848
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Myocardial perfusion measured by dual-isotope acquisition of81rubidium/81mkrypton: an experimental verification of the method (1994)
    Springer
    Basic research in cardiology 89 (1994), S. 354-365 
    Details
    ISSN: 1435-1803
    Keywords: 81Rubidium/81mkrypton ; myocardial perfusion ; myocardial perfusion reserve ; isolated rabbit heart ; Langendorff preparation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Purpose The purpose of the study was to verify that the81Rubidium/81mkrypton (81Rb/81mKr) method allows the quantitative measurement of myocardial perfusion. Principle The potassium analogous cation81Rb is accumulated in the myocardium by the cell membrane-bound Na−K-ATPase. After accumulation an intracellular equilibrium establishes between81Rb and its radioactive daughter nuclide81mKr. The flow-sensitive method evaluates the disturbance of this equilibrium by perfusion which washes out the short-lived diffusable daughter nuclide81mKr while the mother nuclide81Rb remains cell-bound. Methods Isolated rabbit hearts were prepared in a modified Langendorff technique which allowed quantitative collection of the coronary sinus efflux. The myocardium was labeled with pure81Rb by bolus injection into the aortic cannula. Spectroscopic measurements of81Rb and81mKr gamma radiation were performed using a germanium detector. Perfusion was varied in the range between 0 and 4 ml/min/g. The activity ratio81Rb/81mKr was determined and compared with coronary sinus effusion. Results 81Rb/81mKr activity ratio was closely related (r=0.98) to perfusion as described by the predicted equation Rb/Kr=(F/2.96 P)+1. (Rb/Kr=activity ratio between81Rb and81mKr in the myocardium; F=myocardial perfusion (ml/min/g); P=partition coefficient (myocardium/perfusate) for Krypton gas.) The constant P was found to be 1.14±0.06 (mean±SEM). No saturation of this ratio at high flow rates was observed. Conclusion The activity ratio81Rb/81mKr is a valid quantitative measure for myocardial perfusion in isolated hearts. The main limitation of the method before application in man is the correction of the different gamma ray tissue absorption of both nuclides.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00795203
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    Paper (German National Licenses)
    Fulltext
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