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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of agricultural and food chemistry 17 (1969), S. 1298-1300 
    ISSN: 1520-5118
    Source: ACS Legacy Archives
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of the American Chemical Society 111 (1989), S. 102-107 
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    The journal of membrane biology 41 (1978), S. 249-263 
    ISSN: 1432-1424
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Summary Homogeneous, small, single-bilayer vesicles were prepared from egg phosphatidylcholine with various concentrations of cholesterol by ultrasonic dispersion in 0.1m KCl, 0.01m Tris, pH 8.0, buffer, followed by gel chromatography. The shape and size distributions of the fractionated vesicles were investigated for preparations with cholesterol compositions from 0 to 50 moles/100 moles, using freeze-etch electron microscopy. The size distribution was estimated from the shadow width of vesicles which were exposed by etching and the vesicle shape was checked by comparing the images obtained by tilting the replicas. The widths of the vesicle diameter distributions were relatively broad, corresponding to standard deviations in the range 60–90 Å, but showing no systematic variation with cholesterol composition. In all cases it was found that 70% of the vesicle diameters lay within 150 Å of the modal value. The apparent vesicle diameters remained constant for cholesterol compositions up to 20 moles/100 moles (modal diameter=330 ± 20 Å, mean diameter = 350 ± 3 Å), but there was a sharp net increase in diameter at 30 moles cholesterol/100 moles reaching a model diameter of 430 ± 20 Å (mean diameter = 430 ± 3 Å) at 50 moles cholesterol/100 moles. Using the tilted microscope stage it was found that all vesicles were spherical at all cholesterol compositions studied, including those above 30 moles cholesterol/100 moles. The molecular mechanism by which cholesterol controls the vesicle size is discussed in terms of the asymmetric distribution of cholesterol across the vesicle bilayer.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 6334-6349 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Calculations of spectra for the excitation of the van der Waals modes in the weakly bound complexes H2HF, D2HF, and H2DF are reported. An ab initio potential energy surface has been computed using the coupled electron pair approximation with a large basis set. The rovibrational bound states for the complexes are calculated using a variational method. A self-consistent field approach is used to optimize the basis sets for bending and stretching motion in the van der Waals complex. The calculated spectra compare very well with those measured in near-infrared experiments. The computations provide a systematic analysis of the relative stability and rigidity of the different complexes, the very large zero-point energy effects, and the unusual nature of the rovibrational wave functions in these van der Waals molecules. The predicted spectra contain some new bands with surprisingly large intensities that might be detectable in experiments.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 376-383 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Metastable Ar+2 (Ar+2 →Ar++Ar) has been observed in a double-focusing mass spectrometer from ions created by 70 eV electron bombardment of an Ar cluster beam. New ground and excited state potential energy curves have been calculated for Ar+2, and these have been used to show that metastability is due to radiative decay from the II(1/2)u state of the ion. It is shown that vertical (FC) ionization from neutral Ar2, with a vibrational temperature of approximately 30 K, results in a significant fraction of the ions occupying the II(1/2)u state. Detailed pressure dependent measurements show that collision-induced dissociation does not contribute to the observed Ar+ signal. The mean kinetic energy released to the Ar+ has been measured as 44 cm−1 in the center-of-mass frame, and calculations show that this value is consistent with the proposed mechanism.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 2818-2833 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Three-dimensional potential energy and electric dipole moment functions for the electronic ground state of H2O+ have been calculated from highly correlated multiconfiguration reference configuration interaction (MRCI) electronic wave functions. The analytic representations of these functions have been used in vibrational and perturbational calculations of the rovibrational absorption spectrum of H2O+. The quartic force fields in normal coordinates have been employed in the evaluation of the equilibrium spectroscopic constants in H2O+, D2O+, and HDO+ by perturbation theory. The equilibrium structure, vibrational band origins, centrifugal distortion constants and rotational energy levels agree very well with the available experimental data. Absolute vibrational band intensities have been calculated from the dipole moment functions and are compared with theoretical integrated band intensities. The radiative lifetimes of excited vibrational states exhibit mode specific variations. The rotationally resolved room temperature absorption spectra have been evaluated ab initio for the pure rotational and the ν2, 2ν2, ν1, ν3, and 3ν2 transitions. The rovibrational electric dipole transition matrix elements and absolute line intensities are given for the most intense transitions. These data take full account of anharmonicity effects and vibration–rotation coupling.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 7002-7007 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We show that a simple Gaussian model for exchange yields Kohn–Sham virtual orbital energies that are in significantly better agreement with Hartree–Fock theory than those arising from functionals based on the uniform electron gas. Also we show that normalization of the Gaussian model significantly improves the accuracy of total exchange energies, and that reparametrizing a Becke-type asymptotic correction leads to total exchange energies which are only slightly less accurate than B88. Errors in HOMO–LUMO gaps for this new functional are typically less than a third of the corresponding B88 errors. Many-body perturbation theory using B88 exchange in the zeroth-order Kohn–Sham problem is shown to be divergent or very slowly convergent for some typically well-behaved closed shell systems; using the functional presented here, though, convergence is in each case at a rate comparable with normal Møller–Plesset perturbation theory. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Biochemical and Biophysical Research Communications 83 (1978), S. 1216-1224 
    ISSN: 0006-291X
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Archives of Biochemistry and Biophysics 188 (1978), S. 172-181 
    ISSN: 0003-9861
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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