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  • Atomic, Molecular and Optical Physics  (4)
  • Polymer and Materials Science  (3)
  • Epidural anaesthesia  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Why is there a molecular relativistic effect? (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 489-495 
    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 almost exclusive association of the molecular geometry dependence of the relativistic correction with the valence orbital contribution to the mass-velocity and Darwin terms is investigated using SCF and MCSCF wavefunctions. The requirement of orthogonality of the valence orbitals to the core orbitals is confirmed to be the mechanism responsible for the increase in (the absolute value of) relativistic energy upon decrease of the internuclear distance. Certain “fingerprint”-type features of the valence relativistic correction, revealing the identity of the particular core orbital giving rise to it, are identified.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260407
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  • 2
    Electronic Resource
    Electronic Resource
    Shellwise virial scaling: Approximation for atomic hole states (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 1049-1055 
    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: A partitioning of the kinetic and potential energies of atoms within the SCF framework into shell components is proposed. It is demonstrated that this partitioning nearly satisfies a shellwise viral theorem for SCF wave functions. This property is used in order to generate approximate relaxed wave functions for atomic hole states by scaling each shell of the frozen description of the hole in terms of the neutral-atom ground-state orbitals. Very good estimates of ΔSCF relaxation energies and reasonable estimates of the overlap integrals between the frozen and relaxed hole wave functions are obtained.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560180412
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  • 3
    Electronic Resource
    Electronic Resource
    Mapping between local potentials and ground state densities (1981)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 19 (1981), S. 293-300 
    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 mapping between the local one-body potential and the ground state density is discussed. The role of degenerate ground states, which form a set of measure zero in potential space, is shown to be amplified by the unitary transformation between degenerate densities, forming a space filling set in density space. A numerical experiment demonstrating these features is carried out. No indication of non-V representable densities is encountered.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560190210
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  • 4
    Electronic Resource
    Electronic Resource
    One-electron properties of molecules calculated using second-order multireference perturbation theory (1995)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 53 (1995), S. 149-160 
    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: A new form of second-order multireference perturbation theory coupled with finite-field perturbation theory is applied to evaluate some one-electron molecular properties. Several possible definitions of the zeroth-order Hamiltonian are considered and results tested against bench-mark full CI calculations. © 1995 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560530203
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  • 5
    Electronic Resource
    Electronic Resource
    Increase in pulse transit time to the foot after epidural anaesthesia treatment (2000)
    Springer
    Medical & biological engineering & computing 38 (2000), S. 674-679 
    Details
    ISSN: 1741-0444
    Keywords: Pulse transit time ; Photoplethysmography ; Epidural anaesthesia ; Arterial compliance
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Epidurally induced anaesthetic treatment is a routine treatment for pain relief during surgical procedure, based on blocking the sensory and sympathetic fibres that mediate pain. The epidural sympathetic block results in relaxation of the muscle walls in the lower limbs, which can be assessed by the resultant haemodynamic changes. In the current study, the difference tt,f in the transit time of the blood pressure pulses between the toe and the finger is measured by photoplethysmography (PPG). Fifteen patients are administered 10 ml 0.25% of bupivacaine, ten patients are administered 10 ml 0.5%, and 17 patients are administered 40 ml 0.0625%. tt,f decreases as a function of the patient's age and blood pressure, both before and after the sympathetic block, owing to the decrease in arterial compliance with age and blood pressure. The time delay tt,f increases after the epidural treatment by 10.1±7.0 and by 16.8±10.8 ms for the 0.25% and the 0.5% concentrations, respectively. The time delay increase for the lowest concentration is not statistically significant. The toe-finger time delay change is found to reflect the haemodynamic changes induced by the sympathetic block with higher reliability than the routine methods of skin temperature or arterial blood pressure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02344874
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  • 6
    Electronic Resource
    Electronic Resource
    Monomers and polymers containing the trifluoromethyl groupA portion of a thesis submitted by E.B.D. in partial fulfillment of the requirement for the Degree of Doctor of Philosophy in the graduate school of the Polytechnic Institute of Brooklyn. (1962)
    Hoboken, NJ : Wiley-Blackwell
    Journal of Polymer Science 62 (1962), S. 23-31 
    Details
    ISSN: 0022-3832
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: 3,3,3-Trifluoropropene, 4,4,4-trifluorobutene-1, 5,5,5-trifluoropentene-1, 3-trifluoromethylbutene-1, and 4-trifluoromethylpentene-1 were prepared and subjected to polymerization conditions with a variety of heterogeneous catalysts. The latter four monomers were polymerized to crystalline, high melting solids by means of vanadium trichloride-triisobuty aluminum catalyst. Infrared analysis indicates that there was no isomerization of the polymer chain.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1962.1206217303
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  • 7
    Electronic Resource
    Electronic Resource
    The polymerization of allylbenzene with lewis acids: A polyalkylation reaction (1966)
    New York : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Letters 4 (1966), S. 175-181 
    Details
    ISSN: 0449-2986
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1966.110040304
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  • 8
    Electronic Resource
    Electronic Resource
    Preparation of polymer films for contact angle measurement (1971)
    New York : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Letters 9 (1971), S. 569-572 
    Details
    ISSN: 0449-2986
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1971.110090803
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