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  • 1
    Electronic Resource
    Electronic Resource
    Effect of annealing on the electrical properties and refractive index of HgI2 single crystals (1995)
    Springer
    Applied physics 60 (1995), S. 437-440 
    Details
    ISSN: 1432-0630
    Keywords: 72.20 ; 78.20
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The effect of annealing on the electrical properties and the refractive index of red mercuric iodide (HgI2) single crystals is investigated. The ac-impedance and phase angle were measured in the frequency range from 100 Hz to 10 kHz at different annealing temperatures. The ac-conductivity, dielectric constants, loss tangent and the refractive index as a function of frequency are determined. The results are discussed in terms of structural changes taking place as a result of the heat treatment of the HgI2 single crystals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01538766
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  • 2
    Electronic Resource
    Electronic Resource
    An Investigation of Structural Stability and Internal Rotation in 3-Cyclopropenecarboxaldehyde and 3-Cyclopropenecarboxylic Acid Fluoride by ab initio Calculations (1998)
    Springer
    Journal of molecular modeling 4 (1998), S. 158-164 
    Details
    ISSN: 0948-5023
    Keywords: Ab initio ; Structural stability ; Rotational barrier ; 3-Cyclopropenecarboxaldehyde ; 3-Cyclo-propenecarboxylic acid fluoride
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structural stability and internal rotation in 3-cyclopropenecarboxaldehyde and 3-cyclo-propenecarboxylic acid fluoride were investigated by ab initio calculations with a 6-31G* atomic basis in the latter and a 6-311G* atomic basis set in the former case. For the sake of comparison also results obtained with a 3-21G basis are given in the paper. As expected, it turned out that this basis set is not large enough for three-membered rings. The calculations were carried out both at the Restricted Hartree-Fock (HF) and the second order Moller-Plesset (MP2) levels. The trans-form is predicted to be the lower energy conformer for both molecules. However, in case of the fluoride the two conformers have nearly the same energy. Full optimization was performed at the transition states and the asymmetric potential function for the CXO internal rotations was predicted for both molecules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s0089480040158
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