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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 9095-9104 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The infrared multiphoton photodissociation of a molecular ion, HCl+ in intense (I〉1013 W/cm2), short (τ≤1 ps) laser pulses is studied numerically by solving the nonperturbative time-dependent Schrödinger equation for this system. In particular, since molecular ions have large permanent moments upon dissociation, the present calculation examines the relative importance of electronic and permanent dipole moments effects at high intensities. Both long (λ=20.6 μm) and short (λ=1.064 μm) wavelength are compared to previous experiments and barrier suppression models. It is found in general that at long wavelength electronic effects predominate, thus justifying the use of a static field barrier suppression mechanism to predict the onset of dissociation. High intensity low frequency photodissociation also implies considerable redistribution of ponderomotive energies for light particles such as protons by charge transfer effects. © 1997 American Institute of Physics.
    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 102 (1995), S. 1257-1265 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A finite element (FE) method in three-dimensional Cartesian coordinates is described to solve the time dependent Schrödinger equation for H+2, H2, and H+3 in the presence of time dependent electromagnetic fields. The ionization rates and harmonic generation spectra have been calculated for these molecules for field directions parallel or perpendicular to the molecular axis. Nonlinear optical susceptibilities of H+2 have been also obtained for different laser field directions. The time dependent Hartree–Fock results are compared to frozen core calculations for H2. Comparisons of present FE numerical results with previously published calculations show the FE method reproduces perturbative results and can also treat nonperturbatively the effect of intense short laser pulses as the method includes both bound and continuum electronic states. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    European journal of soil science 47 (1996), S. 0 
    ISSN: 1365-2389
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Geosciences , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Aluminium is usually important in exchange reactions in acid soil, but amounts extracted are strongly affected by procedure. We examined the impact of proton release, following salt addition, on Al removal from three horizons (Oe, Oa and A12) of an acid, brown forest soil.The Al was first extracted with either 1 M KC1, 1 m NH4C1 or 0.5 m CuCl2 on the three horizons limed to pH 5.5. For any lime addition, both the pH drop following salt addition and the amounts of extracted Al were greater with CuCl2 than with KC1 or NH4C1. For the Oa and A12 horizons there was a single inverse linear relation between amount of Al extracted and the pH of final extract, independent of the extracting cation. In the Oe horizon CuCl2 extracted constant amounts of Al, whereas the quantity of Al removed by KC1 or NH4C1 increased linearly as pH declined below pH 3.6.Extra Al was mobilized following unbuffered KC1 extraction, a side effect induced by the extracting procedure itself.Al mobilization increased with increasing H+ additions. In the Oe horizon, equilibrium was established rapidly (≤ 24 h), and decreasing the pH of the soil-KCl suspensions to 2.0 resulted in extracted Al amounts equal to or slightly greater than those obtained with CuCl2 solutions. Al amounts extracted with acidified KC1 solutions from the A12 were close to those obtained using CuCl2 solutions at similar pH in the extract. In the samples from the A12 layer, increasing the equilibration time resulted in increasing proton consumption and equivalent release of Al ions in the extract.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1434-1948
    Keywords: Chromium ; Carboxylate complexes ; Metal-metal multiple bonds ; Molybdenum ; Rhenium ; Tungsten ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Reaction of Re2{μ-O2CC(CH3)3}4Cl2 with [(CO)5M-CN]Na (M = Cr, Mo, W) leads to tetranuclear complexes of formula Re2{μ-O2CC(CH3)3}4[-NC-M(CO)5]2 (M = Cr, Mo, W). These complexes were characterized by 1H-, 13C-, and 95Mo-NMR, IR and Raman spectroscopy, elemental analysis and examined by cyclic voltammetry. The applied methods show the donor capabilities of the [(CO)5M-CN]- ligands which shift electron density towards the Re centers weakening the Re-Re quadruple bond. The Re-Re bond lengths and the ν(Re-Re) force constants are estimated based on the FT-IR and Raman examinations. Photochemical examinations and TG/MS experiments have also been conducted. The latter method shows that the product complexes decompose around 100 °C, by first loosing their carbonyl substituents; as do the Cr, Mo, W precursor compounds. The dirhenium tetrapivalate unit decomposes only at higher temperatures in a distinct second step.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Journal of porous materials 3 (1996), S. 175-180 
    ISSN: 1573-4854
    Keywords: chromium oxalate ; chromium oxide CrO x ; nitrogen adsorption-desorption ; porosity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract The porosity of oxides has an influence on their catalytic activity. An accurate knowledge of the effects of thermal treatments on the textural characteristics of oxides obtained by precursors decomposition is therefore an essential step. The porosity of the studied chromium oxides was analyzed by nitrogen adsorption-desorption measurements. Decomposition under air at 310–340°C of chromium oxalate allowed us to obtain more or less microporous X-ray amorphous chromium oxides, CrO x (x ≈ 2), according to the heating and cooling rates and the treatment temperatures used. The oxides obtained from chromium hydroxides were mesoporous and had lower specific surface areas. Using high heating and cooling rates for the oxalate decomposition, the prepared chromium oxides were more microporous. By this way, the control of the textural properties of the resulting oxides is possible.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 64 (1997), S. 613-617 
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Combinations of circularly polarized intense laser pulses (I≥1014 W/cm2) and intense magnetic fields (B≃107 gauss) are shown to lead to control of electron orbits in atoms and molecules. In particular, it is proposed to use such intense field experiments to produce high-order harmonic generation into the ultraviolet and X-ray regions.   © 1997 John Wiley & Sons, Inc. Int J Quant Chem 64: 613-617, 1997
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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