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  • 1985-1989  (3)
  • 1970-1974  (1)
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Year
  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 510-513 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Valence SCF/CI calculations using nonrelativistic, relativistic, and semiempirical pseudopotentials have been carried out for the ground states of HBri and HIi (i=+1,0, −1). Autoionization of HBr− and HI− is characterized by the crossing points between the Born–Oppenheimer potential energy curves of the negative and neutral molecules. Relativistic and correlation effects are discussed for several molecular properties. Using semiempirical pseudopotentials+valence-CI, our calculated values for HX and HX+ (X=Br, I) are in good agreement with experiment. The crossing between the 1Σ+ (HX) and 2Σ+(HX−) curves is calculated to occur at 1.70 A(ring) for HBr/HBr− and 1.84 A(ring) for HI/HI−. Dissociative attachment energies for HX/HX− are compared with results from low-energy electron scattering experiments.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 762-767 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Nonrelativistic, relativistic, and semiempirical pseudopotentials for the Pb atom have been generated to replace the chemically inert core electrons for investigating the effects of relativity and correlation on molecular properties of PbH+, PbH, PbH2, and PbH4. Spin–orbit effects are taken into account by using a quasirelativistic two-spinor pseudopotential. The relativistic bond contraction is found to be dependent on the Pb(6s) orbital participation in the Pb–H bond (Δrelre : 0.04 A(ring) for PbH+, PbH, and PbH2 and 0.07 A(ring) for PbH4). The calculated and measured values agree excellently [e.g., re (PbH)=1.839 A(ring); expt. 1.839 A(ring)]. The inert pair effect for the lead hydrides will be discussed.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 1606-1612 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Pseudopotentials are used for investigating the effects of relativity and correlation on atomic properties of Br and I, and on bond lengths and dissociation energies of the molecules HBr, HI, Br2, and I2. The pseudopotentials are adjusted to energies of Br6+ and I6+ on different levels of approximation: (i) to Hartree–Fock data for the nonrelativistic case, (ii) to Dirac–Fock data for the relativistic case, and (iii) to experimental energies for the relativistic case including correlation. At the highest level of approximation, atomic ionization energies, electron affinities, molecular dissociation energies, and bond lengths are obtained in good agreement with the experimental results.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical and applied climatology 21 (1973), S. 365-391 
    ISSN: 1434-4483
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Description / Table of Contents: Zusammenfassung Die Albedo von Weizen- und Gerstenfeldern wurde in Derrimut, Victoria, Australien, in zwei aufeinanderfolgenden Vegetationszeiten gemessen. Eine dieser Vegetationszeiten (1966) war außerordentlich naß, die andere (1967) abnormal trocken. Die täglichen Albedowerte reichten von 0.13 bis 0.25 für Weizen und von 0.14 bis 0.36 für Gerste. Der Jahresgang der Albedo wird aus den Veränderungen in der Entwicklung der Pflanzen und im Bodenfeuchtegehalt erklärt. Die Änderung der Albedo in Abhängigkeit vom Höhenwinkel der Sonne wird ebenfalls diskutiert. Es werden auch die Unterschiede zwischen der Albedo bei klarem und bei bedecktem Himmel untersucht. Es zeigt sich, daß die Albedo an bedeckten Tagen der Albedo bei einem effektiven Sonnenwinkel von 45° gleichkommt.
    Notes: Summary The albedo of wheat and barley crops was measured during the course of two successive growing seasons, one of which was exceedingly wet (1966) and the other abnormally dry (1967) at Derrimut, Victoria, Australia. Daily albedo values ranged from 0.13 to 0.25 for wheat and from 0.14 to 0.36 for barley. The seasonal trends are explained in terms of changes in crop development and soil moisture. Albedo variation with solar elevation is also discussed. This leads to a consideration of the differences in albedo under clear and overcast skies, and it is shown that overcast days have an effective solar elevation of about 45°.
    Type of Medium: Electronic Resource
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