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  • 1
    Electronic Resource
    Electronic Resource
    The behaviour of cationic cellulose derivatives containing fatty quat groups (1988)
    Oxford, UK : Blackwell Publishing Ltd
    International journal of cosmetic science 10 (1988), S. 0 
    Details
    ISSN: 1468-2494
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: The use of trimethyl quat cellulose derivatives in hair and skin care products is well established. The introduction of fatty quat groups into cellulose can modify the surface activity and conditioning behaviour. The present study was directed to a coconyl dimethyl quat derivative of cellulose, with an average molecular weight of approximately 100,000. A modified version of the rubine dye test, capable of giving quantitative results, was used to seek information on substantivity and tendency for build-up on hair. The evidence presented indicates that this surface-active cellulose polymer exhibits a plateau maximum value for substantivity which is achieved by a single conditioning treatment as an aqueous solution with a concentration of 1% or higher. The same plateau value can be approached by successive shampoo/conditioning cycles at lower polymer concentrations. This in-built mechanism for preventing excessive build-up from aqueous solutions is compared with the behaviour of other cationic cellulose polymers of higher average molecular weight.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1467-2494.1988.tb00020.x
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  • 2
    Electronic Resource
    Electronic Resource
    The Effect of pH on Sanguinarine Iminium Ion Form (1986)
    s.l. : American Chemical Society
    Journal of natural products 49 (1986), S. 1109-1111 
    Details
    ISSN: 1520-6025
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/np50048a025
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  • 3
    Electronic Resource
    Electronic Resource
    Characterization of AlAs/GaAs superlattice barriers using electrical barrier height analysis (1988)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 64 (1988), S. 4765-4767 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Electrical barrier height measurements on n+-GaAs–insulator–n-GaAs structures with short-period AlAs/GaAs superlattices forming the insulator show the effective conduction-band discontinuity (ΔEC) of a superlattice barrier (SLB) to be defined by the lowest superlattice energy state. Five structures with different AlAs and GaAs SLB layer thicknesses are investigated. A SLB with GaAs layers greater than 10 monolayers is found to have a ΔEC defined by Γ-valley states in the GaAs layers, while a SLB with GaAs and AlAs layers less than 10 monolayers and with thicker AlAs layers than GaAs layers is found to have a ΔEC defined by X-valley states in the AlAs layers. The SLB with GaAs and AlAs layers less than 10 monolayers and thicker GaAs layers than AlAs layers behaves as a random alloy. Negative differential resistance is observed in the current-voltage characteristic of the sample whose barrier height is defined by Γ-valley states in the GaAs layers.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.341194
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  • 4
    Electronic Resource
    Electronic Resource
    Reply to "Comment: On the equilibrium of Hg2 molecule'' (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 2622-2622 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.449262
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  • 5
    Electronic Resource
    Electronic Resource
    Energy surfaces of low-lying states of O3 and SO2 (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 325-332 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Density functional calculations have been performed for the energy surfaces of the ground states (x 1A1) and low-lying excited states (1 3B1, 1 3B2, 1 1B1, 1 1B2) of O3 and SO2. Vertical excitation energies for the 1 3A2 and 1 1A2 states have also been calculated. The agreement with available experimental information is qualitatively better than for Hartree–Fock calculations and comparable to the predictions of configuration interaction calculations. Plots of the geometry dependence of the one-electron eigenvalues (Walsh diagrams) give insight into the similarities and differences between the bonds in O3 and SO2. Calculations have also been performed for the ground state of SO. Dissociation energies in O2, O3, SO, and SO2 are overestimated by ∼2 eV, a consequence of the local density approximation used for the exchange-correlation energy.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.448804
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  • 6
    Electronic Resource
    Electronic Resource
    Low-lying states of thiozone, S3 (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 318-322 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Density functional calculations are described for the energy surfaces of low-lying 1A1, 3A2, 3B1, and 3B2 states of S3 and for vertical excitation energies (from the energy minimum of the open 1A1 state) for these states and the corresponding singlets. The calculations predict a near-degeneracy between the energies of the open (C2v,αSSS=114°) and cyclic (D3h) forms. The calculated energy surfaces of the excited states are in good agreement with predictions based on the energy surfaces and single-particle eigenvalues of the 1A1 states. Calculations for S2 reproduce satisfactorily the equilibrium internuclear separation and vibration frequency, but the dissociation energies of both S2 and S3 are overestimated by ∼1.5 eV. These discrepancies are due to the use of the local spin density approximation for the exchange-correlation energy.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450140
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  • 7
    Electronic Resource
    Electronic Resource
    Energy surfaces of low-lying states of C3 (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 5078-5083 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Density functional calculations have been performed for the energy surfaces of the ground state [1Σ+g(1A1)] and low-lying excited states [3Πu(3B1,3A1), 3Πg(3B2,3A2), 1Πu, 1Πg] of the C3 molecule. The experimental geometries and symmetric stretch frequencies of 1A1 and 1Πu states are reproduced well, and there is good agreement with CI calculations for the triplet states. The energy surface of the ground state is described qualitatively better than by CI calculations and does not show the unusual square-well form found in Hartree–Fock calculations. The splitting of the Born–Oppenheimer surfaces in the Π states (Renner–Teller effect) is discussed, and the qualitative features of the bonding presented in terms of the geometry dependence of the one-electron eigenvalues (Walsh diagrams). Together with earlier results for C2, the calculations provide insight into the unique features of the C–C bond.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.448629
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  • 8
    Electronic Resource
    Electronic Resource
    Structure of sulfur clusters using simulated annealing: S2 to S13 (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 6823-6835 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ground state geometries of sulfur clusters S2 to S13 have been calculated using a parameter-free density functional (DF) method, combined with molecular dynamics (MD) and simulated annealing techniques. The results are in good agreement with available experimental data, and should provide reliable predictions where detailed measurements are lacking (n=3,4,5,9). The bonding trends are discussed in detail. The MD-DF approach is particularly valuable in larger clusters, where there are many local energy minima with comparable energies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.455356
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  • 9
    Electronic Resource
    Electronic Resource
    Sulfur and selenium helices: Structure and electronic properties (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 2652-2658 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Density functional calculations of the energy surfaces of infinite helical chains of selenium have been performed for a wide range of geometries using the parameter-free local density approximation. The results are compared with our earlier calculations for the sulfur helix S∞ for which the calculated ground state geometry is in good agreement with experiment. The energy surfaces of both molecules are flat over large regions of configuration space—consistent with the extreme flexibility of these molecules—and are characterized by a variety of local minima and saddle points. Stretching each molecule results in planar zig-zag and linear geometries with overlapping conduction bands. The energy differences between helical and planar minima are small (∼0.2 eV).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453992
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  • 10
    Electronic Resource
    Electronic Resource
    Displacement theorems for spherical solutions of the linear Navier–Stokes equations (1989)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 30 (1989), S. 339-342 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: Displacement theorems are presented for the solutions in spherical coordinates of the linear Navier–Stokes equations for time-independent flow in an incompressible viscous fluid. The theorems allow one to expand spherical solutions about a chosen center into spherical solutions centered elsewhere.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.528450
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