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  • Articles  (37)
  • Analytical Chemistry and Spectroscopy  (29)
  • Atomic, Molecular and Optical Physics  (5)
  • 11.80.Et  (3)
  • 42.75
  • 2000-2004  (2)
  • 1990-1994  (35)
Collection
  • Articles  (37)
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Year
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  • 1
    Electronic Resource
    Electronic Resource
    Measurements of the antiproton-proton elastic cross section in the beam momentum range between 180 and 600 MeV/c (1991)
    Springer
    The European physical journal 339 (1991), S. 367-377 
    Details
    ISSN: 1434-601X
    Keywords: 13.75.Cs ; 11.80.Et
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The differential cross section for antiproton-proton elastic scattering has been measured for the beam momenta between 180 and 600 MeV/c. The real-to-imaginary ratio of the forward elastic scattering amplitude is derived from the Coulomb-nuclear interference. The ratio is found to be close to zero between 180 and 500 MeV/c with a minimum ofρ=−0.14 at 260 MeV/c. This result is contrary to model predictions. The phase shifts for thes-,p- andd-waves are extracted. The partial wave compositions of the elastic and inelastic cross sections have been determined. A large contribution of thep-wave is identified in the antiproton-proton interactions at small momenta.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01560639
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  • 2
    Electronic Resource
    Electronic Resource
    Measurements of the antiproton-proton annihilation cross-section in the beam momentum range between 180 and 600 MeV/c (1990)
    Springer
    The European physical journal 335 (1990), S. 217-229 
    Details
    ISSN: 1434-601X
    Keywords: 13.75.Cs ; 11.80.Et
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The antiproton-proton annihilation cross-section has been mesasured for antiproton beam momenta between 180 and 600 MeV/c. The annihilation cross-section is found to be larger than the geometrical limit of thes-wave inelastic cross-section in this momentum range, indicating a significantp-wave contribution even at low momenta.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01294477
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  • 3
    Electronic Resource
    Electronic Resource
    Ranges of interaction in $$p\bar p$$ scattering at low energies (1991)
    Springer
    The European physical journal 339 (1991), S. 379-382 
    Details
    ISSN: 1434-601X
    Keywords: 13.75.Cs ; 11.80.Et
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Thep¯ p cross sections at low energies are analysed in the framework of the optical model. It is shown that the annihilation range is closely related to the size of the proton as measured in electromagnetic and hadronic interactions. At larger distances thep¯ p interaction has the similar character as the NN one.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01560640
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  • 4
    Electronic Resource
    Electronic Resource
    Intermolecular interactions with the direct reaction field method (1990)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 38 (1990), S. 181-189 
    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 direct reaction field (DRF) method, developed to incorporate the effects of a (large) semiclassical environment into the Hamiltonian of a quantum mechanical system, is briefly reviewed. It is shown that the DRF method behaves - at least - like a supermolecule SCF calculation. With the water dimer as an example, the similarity with the SCF procedure is demonstrated, and an application to the interaction between the active site of papain and the remaining 3000 or so atoms of this protein shows the inadequacy of dielectric constant models and the necessity of including atomic polarizabilities in model force fields.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560380213
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  • 5
    Electronic Resource
    Electronic Resource
    Papain in aqueous solution and the role of Asp-158 in the mechanism: An Ab InitioSCF + DRF + BEM study (1991)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 40 (1991), S. 49-59 
    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 effects of the solvent on the stability of the zwitterion in the active site of papain is investigated with numerical methods. The solvent is represented by a homogeneous dielectric continuum surrounding a cavity, defined by a fragment of the protein enclosed by a surface obtained following Connolly's method. The discretisized boundary surface is used to solve the Poisson equation in its integral form by means of a numerical approximation based on the boundary element method (BEM), resulting in a set of surface polarization charges. The solvent effect on the proton transfer in papain is studied on the basis of MO-SCF-direct reaction field (DRF) calculations of the energy and charge distribution of the fragment in the field of the surface charges. The role of Asp-158 in the proton transfer in the active site of papain is reevaluated in the presence of the solvent. It is concluded that the effect of the negative charge of Asp-158 is nearly completely screened by the solvent.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560400710
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  • 6
    Electronic Resource
    Electronic Resource
    Computation of scanning tunneling microscope images (1991)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 40 (1991), S. 687-702 
    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: This article describes the computation of the tunnel current in a scanning tunneling microscope (STM). The calculation accounts for the three-dimensional scattering taking place simultaneously in the first atomic layers of the sample and in the apex of the probing tip. The model is built with the following ingredients: (a) the tip is represented by a cluster of atoms attached to an otherwise planar, free-electron metal surface, and (b) the analyzed sample is a planar free-electron metal with a local potential corrugation induced by an isolated molecule or adatom. The potential barrier includes the strong bending effect due to the image-charge formation occurring as the tunneling electron crosses the gap between the tip and the sample. The specific theoretical approach designed to solve this scattering problem exploits the fast Fourier transform algorithm to construct a transfer matrix in a mixed real- and momentum-spaces representation. The total current is obtained by summing the contributions of all scattered waves traveling in the barrier between the tip and the sample, and it is studied in this article for various positions of the tip relative to the adsorbed atomic cluster. The theory is used here to simulate the scan of a model-aluminum atom on a free-electron metal substrate using electrons focused by a single-atom tungsten tip.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560400860
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  • 7
    Electronic Resource
    Electronic Resource
    Comprehensive Two-Dimensional Gas Chromatography with a Rotating Thermal Desorption Modulator and Independently Temperature-Programmable Columns (2000)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 23 (2000), S. 189-196 
    Details
    ISSN: 0935-6304
    Keywords: Comprehensive two-dimensional gas chromatography ; thermal desorption modulator ; temperature programming ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---In comprehensive two-dimensional gas chromatography, two individual separations are coupled by means of a rotating thermal desorption modulator interface. The injection pulse introduced via the interface onto the second column should be as short as possible. Parameters affecting the modulator operation are studied. In the set-up used in this study, the temperature of the second column can be programmed independently from that of the first column. Optimization of the second-dimension separation to minimize peak broadening and maximize resolution is discussed and an elegant approach to determine second-dimension retention times using a non-constant modulation frequency is demonstrated. The high separation power of the comprehensive system is demonstrated by the analysis of technical and biota samples containing chlorinated biphenyls and toxaphene.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Determination and distribution of polycyclic aromatic hydrocarbons in native vegetable oils, smoked fish products, mussels and oysters, and bream from the river Elbe (1990)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 13 (1990), S. 104-111 
    Details
    ISSN: 0935-6304
    Keywords: Capillary gas chromatography ; Mass spectrometry ; Food analysis ; Polycyclic aromatic hydrocarbons ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Twenty eight native vegetable oils were analyzed for polycyclic aromatic hydrocarbons. Generally PAH concentrations were low, but olive oils showed significantly higher contamination by light PAH ranging from 53 to 105.6 μg/kg. Muscle and liver samples of bream from the river Elbe contained little or no detectable amounts of PAH, whereas fresh and canned oysters and mussels showed higher contaminations. Highest PAH concentrations have been determined in “smoked oysters in oil” with 75.8 μg/kg benzo[a] pyrene for the oil and 12.2 μg/kg for the oyster meat.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240130206
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  • 9
    Electronic Resource
    Electronic Resource
    Ethyl acetate for the desorption of a liquid chromatographic precolumn on-line into a gas chromatograph (1990)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 13 (1990), S. 157-161 
    Details
    ISSN: 0935-6304
    Keywords: Coupled LC-GC ; Partially concurrent solvent evaporation ; Trace enrichment ; Surface water ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The feasibility of using ethyl acetate for the desorption of trace pollutants from a liquid chromatographic precolumn on-line into a diphenyltetramethyldisilazane-deactivated retention gap and, subsequently analysis by means of capillary gas chromatography has been demonstrated. First 5% of methanol are added to the water sample to prevent sorption of analytes onto parts of the preconcentration system. About 1 ml of this aqueous sample is injected onto a precolumn containing a polymeric stationary phase, using water-methanol (95:5, v/v) for transport and clean-up. The precolumn is desorbed with ethyl acetate and a fraction of 75 μl is injected on-line into the retention gap; separation is then achieved on a capillary CP Sil 19 column. No breakthrough of the test compounds was observed in the preconcentration step. The recovery was quantitative and the response obtained with flame ionization detection was linear in the range 0.1-100 ng/ml. The effect of varying the sorption flow rate on the recovery was studied. The system was applied to the analysis of river water.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240130303
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  • 10
    Electronic Resource
    Electronic Resource
    Investigations into the use of capillary GC with atomic emission detection. The influence of the molecular structure on the element response (1990)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 13 (1990), S. 447-450 
    Details
    ISSN: 0935-6304
    Keywords: Capillary GC ; Atomic emission ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240130617
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