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  • 1
    Electronic Resource
    Electronic Resource
    Magnetoimpedance effect in amorphous and nanocrystalline ribbons (2001)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 90 (2001), S. 4783-4790 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The magnetoimpedance effect in several Co-rich amorphous ribbons is overviewed. Results are classified in the following sections: influence of anisotropies induced by stress annealing, dependence on applied stress, its dependence on stress or stress-impedance, and the appearance of hysteresis. The influence of nanocrystallization of given Fe-rich ribbons is also analyzed. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1408594
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  • 2
    Electronic Resource
    Electronic Resource
    Giant magneto-impedance effect in nanostructured magnetic wires (1996)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 79 (1996), S. 1646-1654 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The giant magneto-impedance effect (GMI) is studied as a function of the structural modification induced in an Fe73.5Si13.5B9Cu1Nb3 amorphous alloy wire by annealing. The values of GMI are correlated to those structural changes and with the corresponding variation of the magnetic properties and intrinsic resistivity. Excellent soft magnetic properties, associated with low resistivity values, make this nanostructured material as one of the most promising for future applications of the GMI effect. The tailoring of the structure which can be induced by adequate thermal treatments easily allows one to obtain excellent combinations of circumferential permeability μφ and resistivity ρ during different devitrification stages, in order to produce materials for specific aims. Maximum GMI ratios of 200% are found after annealing the wires in the range 550–600 °C, where an optimum compromise between μφ and ρ is found. A simple model is developed correlating the fundamental physical properties of the soft magnetic wires with the measured values of both components of the impedance, allowing the prediction of experimental GMI ratios and an easy visualization of the phenomenon. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.361009
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  • 3
    Electronic Resource
    Electronic Resource
    Solvent effects on the potential energy surface of the 1:1 complex of water and formamide: Application of the polarizable continuum model to the study of nonadditive effects (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 5539-5546 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A study of the solvent effect on the potential energy surface of the 1:1 complex of water and formamide have been performed. In the description of the solvent we have employed the polarizable continuum model. The calculations were done at Hartree–Fock ab initio and Møller–Plesset (MP) levels. We found that the geometry of the system is appreciably modified by the solvent. The most important changes are the inversion of the water molecule orientation and the increase of the O(formamide)–H(water) distance by about 0.2 A(ring). In the gas phase binding to the carbonyl is energetically equivalent to binding to the amino group. However, in solution, water binds better to the carbonyl oxygen that to the NH group. The nonadditive contributions are, in general, important and can be related to the change in the monomer energies when one passes from the monomeric to the dimeric reaction potential. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471793
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  • 4
    Electronic Resource
    Electronic Resource
    Solvent Effects on Optical Emission and Absorption Spectra: Theoretical Calculation of the 1(n, .pi.) Transition of Formaldehyde in Solution (1995)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 15758-15764 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100043a012
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  • 5
    Electronic Resource
    Electronic Resource
    A multiconfiguration self-consistent field/molecular dynamics study of the (n→π*)1 transition of carbonyl compounds in liquid water (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 6308-6315 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A model is presented for the electrostatic component of solvatochromic shifts in vertical electronic excitation energies. The model, which makes use of the mean-field approximation, combines quantum mechanics (QM) in the description of the solute molecule and molecular mechanics (MM) in the description of the solvent. The method is implemented at the multiconfigurational self-consistent field level. We present illustrative applications to the (n→π*)1 transitions of formaldehyde, acetaldehyde, and acetone in liquid water. The solvent shifts obtained compare well with other ab initio QM/MM calculations and when the electron correlation components are included with the experimental solvent shift, but differ from the results obtained with semiempirical QM/MM and continuum models. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1308283
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  • 6
    Electronic Resource
    Electronic Resource
    A theoretical study of liquid alcohols using averaged solvent electrostatic potentials obtained from molecular dynamics simulations: Methanol, ethanol and propanol (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 1613-1620 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We applied a quantum mechanics/molecular mechanics method that makes use of the mean field approximation to study the polarization of several alcohols in the liquid phase. The method is based on the calculation of the averaged solvent electrostatic potential from molecular dynamics data. Because of the reduced number of quantum calculations that our approximation involves, it permits the use of flexible basis sets, the consideration of the electron correlation and the solvent and solute polarization. We found that the molecules studied undergo strong polarization when they pass from the gas to the liquid phase. From this point of view, the polarization methanol displays a behavior lightly different from ethanol and propanol. The vaporization energies are very well reproduced especially when the correlation energy is included. The differences with the experimental values are less than 3% in the three systems studied. Finally, we consider the effect on the thermodynamics and the structure of the solution of the choice of the Lennard-Jones parameters. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1430253
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  • 7
    Electronic Resource
    Electronic Resource
    Speciation of mercury by continuous flow liquid-liquid extraction and inductively coupled plasma atomic emission spectrometry detection (1996)
    Springer
    Microchimica acta 122 (1996), S. 157-166 
    Details
    ISSN: 1436-5073
    Keywords: methylmercury ; inorganic mercury ; tandem on-line ; separations ; liquid-liquid extraction ; continuous flow ; ICP-AES
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An accurate, precise, sensitive and automated non-chromatographic method for methylmercury speciation based on a selective continuous liquid-liquid extraction of methylmercury, into xylene, as bromide and cold mercury vapour generation directly from the organic phase and final ICP-AES mercury detection is proposed. Both separation steps, liquid-liquid and gas-liquid are accomplished in a continuous mode and on line with ICP-AES as detector. The detection limit attained for methylmercury was 4ng·ml−1 (as mercury). The precision of the determination at a concentration level around 20 times the detection limit was +-5%. The proposed methodology has been applied successfully to the speciation of methylmercury and inorganic mercury in spiked sea water and spiked urine samples.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01245778
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  • 8
    Electronic Resource
    Electronic Resource
    Levodopa effect on norepinephrine and dopamine brain levels after portocaval shunt in rats (1982)
    Springer
    Cellular and molecular life sciences 38 (1982), S. 386-387 
    Details
    ISSN: 1420-9071
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary In various brain areas in the rat, after 7 days of portocaval shunt with levodopa administration, we found an increase in norepinephrine and dopamine levels.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01949409
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  • 9
    Electronic Resource
    Electronic Resource
    A method to determine liquid concentration in non-stationary axisymmetric sprays (1997)
    Springer
    Experiments in fluids 23 (1997), S. 299-305 
    Details
    ISSN: 1432-1114
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract  A method to determine liquid concentration in non-stationary axisymmetric sprays of high density and velocity is described in this paper. In this method a Phase Doppler Anemometer (PDA) is used together with a light extinction technique based on a CCD camera. Image acquisitions and PDA measurements are taken at the same time from injection start during a very short temporal window. The data obtained with both techniques are processed independently and then combined to obtain the local liquid concentration and number of droplets per unit volume. In addition, the volumetric flux of liquid can be calculated because the droplet velocities are known.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s003480050114
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  • 10
    Electronic Resource
    Electronic Resource
    Study of solvent effects by means of averaged solvent electrostatic potentials obtained from molecular dynamics data (1997)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 18 (1997), S. 313-322 
    Details
    ISSN: 0192-8651
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: We present the theory and implementation of a new approach for studying solvent effects. The electronic structure of the solute, calculated at the ab initio level, is obtained in the presence of the surrounding medium. We employ a mean field theory in which the solvent response is described by means of point charges chosen in such a way that they reproduce the average value of the solvent electrostatic potential calculated from molecular dynamics data. In this way, the complete solvent potential can be introduced into the solute Hamiltonian without making use of a one-center multiple expansion of the solute-solvent potential. In the proposed method, only one quantum calculation has to be performed and a great number of configurations can easily be included making the calculation statistically significant. We show that, despite the large fluctuations in the solute charge distribution induced by the solvent, the proposed mean field theory adequately reproduces the energetics and properties of formamide and water molecules in aqueous solution. © 1997 by John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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