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  • 1
    Electronic Resource
    Electronic Resource
    Discussion of Papers Presented at the Symposlum: Time-Induced Changes in the Dielectric Properties of Ice Ih (1983)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 87 (1983), S. 4330-4330 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100244a608
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Comparison of the effects of DMSO and pentobarbitone on experimental brain oedema (1982)
    Springer
    Acta neurochirurgica 60 (1982), S. 245-255 
    Details
    ISSN: 0942-0940
    Keywords: DMSO ; pentobarbitone ; intracranial pressure ; blood pressure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The purpose of this report is to compare the effect of acute therapy with dimethyl sulphoxide (DMSO) and pentobarbitone on experimental brain oedema produced by a cryogenic lesion over the left hemisphere in albino rabbits. A group of animals received DMSO (1 mg/kg−10% solution) by intravenous bolus, and another group received a pentobarbitone intravenous 30-minute infusion (40 mg/kg). Intracranial pressure (ICP), systolic arterial pressure (SAP), central venous pressure (CVP), and EEG were studied. Brain water and electrolyte content were analyzed at one hour following the initiation of therapy. ICP was promptly reduced with both forms of therapy. A 66% reduction from control values was reached at 50 ± 12 minutes with pentobarbitone, and a 45% reduction from control values was reached at 30 minutes with DMSO. There was no significant reduction in the water content of the brain with either form of therapy. A significant elevation in brain potassium content was noted following DMSO when compared to untreated controls. CVP was essentially unchanged in both groups. Pentobarbitone produced a reduction of SAP with a mean value of 20.3 torr at 45 minutes from infusion. DMSO produced no reduction of SAP. It is concluded that DMSO and pentobarbitone are just as effective in reducing ICP. DMSO has the capacity to maintain SAP which pentobarbitone does not have, thus assuring a better cerebral perfusion pressure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01406310
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Acute dimethyl sulphoxide therapy in experimental brain oedema, effect of dose and concentration on brain water and electrolyte content (1983)
    Springer
    Acta neurochirurgica 69 (1983), S. 77-91 
    Details
    ISSN: 0942-0940
    Keywords: Dimethyl sulphoxide ; brain water ; brain sodium ; brain potassium
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Albino rabbits with experimental brain oedema produced by a combined left hemisphere cryogenic injury and a metabolic insult by a 6-aminonicotinamide (6-ANA) were administered intravenous dimethyl sulphoxide (DMSO) in varying concentrations and doses in the following manner: Subgroup A (concentration response) received 1.0 g/kg bolus of a 10, 20, 30, or 40% solution. Subgroup B (dose response) received as a 20% solution a 1.0 g/kg bolus, 1.5 g/kg bolus, or 2.0 g/kg infusion. One hour following administration of the agent, the animals were killed, their brains rapidly removed by craniectomy and brain water, sodium and potassium measured. Significant decreases in brain sodium and water content in the right hemisphere were noted in both subgroups A (p 〈 0.05) and B (p 〈 0.005) and in the left hemisphere in subgroup B only (p 〈 0.005). There is an apparent effect on brain oedema by a DMSO mediated sodium dependent water mobilization.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02055856
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  • 4
    Electronic Resource
    Electronic Resource
    Vibrational spectra of molecules in the Hartree-Fock dielectric screening approachWork supported by a research grant from the Sponsored Research Committee of Control Data Corporation, Minneapolis, Minnesota. (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 311-315 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Traditionally, the calculation of the vibrational spectra of molecules involves at one point or another a numerical differentiation procedure. Such a method has some serious drawbacks both in efficiency and in accuracy. In this paper, an alternative method based on linear response theory is presented. The second derivative of the ground-state energy is expressed in terms of the electron density response matrix by means of perturbation theory. The unperturbed wave functions are obtained from the Hartree-Fock equation. First-order perturbation theory applied to this equation leads to the Hartree-Fock linear response. As an illustration of this method the vibrational frequency of a H2 molecule is calculated. The result is 1.348 × 1014 Hz as compared to the experimental value of 1.319 × 1014 Hz. This method is also applicable in the calculation of the phonon dispersion curves of solids.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560180144
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  • 5
    Electronic Resource
    Electronic Resource
    Moment expansion method to calculate vibrational frequencies of molecules and solids (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 317-321 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The vibrational properties of a quantum system are determined by the density response matrix. In linear response theory this quantity is connected to the polarizability matrix, which can be expressed in terms of a double summation over one-particle energies and wave functions. In has been shown that this expression is not useful in the calculation of vibrational frequencies because of the very slow convergence of the summation in terms of the unoccupied states. In this paper, a different but equivalent expression is presented using a continued fraction. The resulting expression contains only one summation over the occupied states, solving in this way all the problems connected with the sum-over-states expression of the polarizability matrix. The elimination of all the unoccupied states via the use of the moment formula turns out to be a crucial step in the solution of the problem of the first-principles calculation of the vibrational spectra of molecules and solids.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560180145
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  • 6
    Electronic Resource
    Electronic Resource
    Microscopic theory of the average band gap of semiconductorsWork supported by a research grant of the Sponsored Research Committee of Control Data Corporation, Minneapolis, Minnesota. (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 615-618 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In Phillips' spectroscopic theory of semiconductors, the covalency and ionicity are derived empirically from the average band gap between the highest valence and lowest conduction bands. In this paper an explicit expression for the average band gap is derived based on a continued fraction representation of the polarizability matrix. Results of a calculation for six covalent and polar semiconductors, using the pseudopotential model, are presented and compare favorably with experimental values.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560180235
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    Paper (German National Licenses)
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