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  • 1
    Electronic Resource
    Electronic Resource
    Dynamical correlations in liquid hydrogen–sulphide (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 9012-9017 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The analysis of the density fluctuations in liquid H2S has been performed by applying a recently proposed theoretical method. Computer simulation results for the correlation functions and the corresponding spectra are reported and compared with the theoretical predictions. A discussion of the differences between the results obtained for H2S and H2O, at comparable thermodynamic states, is carried out. The nature of the interaction potential is invoked to explain the different behavior of the two systems, and the strong anisotropy of the H2O potential which mimics the effect of hydrogen bond is suggested to be the origin of the collective behavior of the density fluctuations propagating through the hydrogen atoms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459241
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  • 2
    Electronic Resource
    Electronic Resource
    High-resolution low-frequency Raman spectra of liquid H2O and D2O (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 7767-7773 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: New high-resolution experimental data on the low-frequency Raman spectrum of water and heavy water are presented. Both polarized and depolarized spectra are studied over a wide temperature range, including the supercooled liquid region. For the first time the absolute Raman cross section of the depolarized spectrum is reported to be ≈2×10−3 A(ring)6/molecule, for both liquids within the experimental error at room temperature, and compared with the integrated intensity of the Brillouin doublet, 0.134 A(ring)6/molecule. The analysis of the temperature behavior of both integrated intensity and line shapes, and the comparison with the results of molecular dynamics simulations indicate that the Raman spectra in the 0–50 cm−1 region are dominated by the dipole–induced dipole contribution. No direct evidence for H-bond polarizability modulations is found in this frequency region.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459356
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  • 3
    Electronic Resource
    Electronic Resource
    Temperature evolution of single particle correlation functions of liquid water (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 2540-2547 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Molecular dynamics simulations of liquid water at various temperatures is reported. The autocorrelation functions of linear and angular velocities and of the first and second rank rotation matrices are studied and compared with previous data obtained using different potential models. Comparisons with the results of molecular dynamics simulations of heavy water and hydrogen sulfide are also shown.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457946
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  • 4
    Electronic Resource
    Electronic Resource
    Low frequency polarized and depolarized light scattering in H-bonded liquids: CH3(CH2)n−1OH (n=1,...,5) (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 6752-6757 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Polarized and depolarized room temperature light scattering spectra of normal alcohols from methanol to pentanol have been measured up to 80 cm−1 frequency shift. At low frequency shifts (smaller than 4 cm−1), resolutions as high as 0.04 cm−1 have been used. The possibility of using the same spectrometer for measuring both low frequency Brillouin structures and high frequency depolarized tails allows for the first time a precise determination of both lineshapes and relative integrated intensities between the various spectral components. The experimental results are presented and briefly discussed on the basis of the existing theories for depolarized scattering from molecular liquids.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457343
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  • 5
    Electronic Resource
    Electronic Resource
    Comment on: "Raman isosbestic points from liquid water'' and "Temperature dependence of the low and high frequency Raman scattering from liquid water'' (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 4553-4555 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453766
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  • 6
    Electronic Resource
    Electronic Resource
    Analysis of the network topology in liquid water and hydrogen sulphide by computer simulation (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 6167-6176 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The analysis of Voronoi polyhedra for liquid water and hydrogen sulphide, at different temperatures, has been performed by using the molecular configurations generated by computer simulation of the liquids with realistic potential models. Some topological and metric properties of the Voronoi polyhedra have been calculated and their distributions are studied. In addition, the cross correlation between pairs of metric quantities are also investigated. The latter correlations are found to be more relevant for a clear distinction between the two systems examined here. In particular, the cross correlation between the potential energy of a molecule and the volume of the corresponding Voronoi polyhedron makes it clear that the interpretation of the anomalous physical properties of water in terms of local volume has to be revised.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462889
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  • 7
    Electronic Resource
    Electronic Resource
    High frequency viscous relaxation from the Brillouin spectra of n-pentanol (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 7751-7755 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Brillouin spectral line shapes of n-pentanol have been measured from −75.5 °C (close to the melting point) up to 115 °C (close to the boiling point) using a grating monochromator. The instrument, owing to its very high resolution, contrast, and free spectral range, has been preferred to the usually employed Fabry–Perot interferometer. The spectra, fitted with a single relaxation generalized hydrodynamic theory, support the existence of a high frequency relaxation process with an activation energy of about 9 KJ/mol. This relaxation process, which should be related to isomeric rotational relaxation, is well separated at low temperature from the structural relaxation observed at lower frequencies in ultrasonic experiments.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459354
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  • 8
    Electronic Resource
    Electronic Resource
    Molecular dynamics results for stretched water (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 8095-8104 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Detailed computer simulation results of several static and dynamical properties of water, obtained by using a realistic potential model proposed by Jorgensen et al., in the supercooled region, at densities well below the coexistence curve, are reported. We have analyzed the structural properties by evaluating the volume distributions of Voronoi polyhedra as well as angular and radial distributions of molecular clusters. In particular, the homogeneity of the system has carefully been checked. The investigated dynamical properties mainly concern the density and temperature dependence of the diffusion coefficient. The results are compared both with previous simulations, performed with different models, and with experimental findings. Some differences stress the fact that the conclusions drawn on the physical process underlying density and temperature behavior, can strongly be influenced by the use of different potential models.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465635
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  • 9
    Electronic Resource
    Electronic Resource
    Non-Lorentzian depolarized Raman line shapes in n-pentanol (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 6136-6143 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: High resolution depolarized Raman spectra of n-pentanol in the −30 to 60° C temperature range are reported. The spectra appear as a continuously decreasing line shape centered at zero frequency. A quantitative analysis of this line shape shows a high frequency exponential tail, which can safely be assigned to intermolecular collision phenomena, and a low frequency narrow contribution. The line shapes of the low frequency contribution are seen to deviate from a single Lorentzian, the effect being more pronounced as the temperature is increased. The data have been analyzed assuming the non-Lorentzian line shape as due either to a distribution of Debye relaxation times or to a single non-Debye relaxation mechanism. The analysis in terms of a distribution of relaxation times suggests a broadening of the distribution as the temperature increases, while the "average'' relaxation time shows an Ahrenius behavior which compares well with the one observed in the ultrasonic attenuation measurements. Similar results have been obtained considering the nonexponential relaxation mechanisms. Absolute intensities are also evaluated with respect to the Brillouin doublet and discussed in terms of the possible microscopic scattering mechanisms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.463949
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  • 10
    Electronic Resource
    Electronic Resource
    Equivalence of the sound velocity in water and ice at mesoscopic wavelengths (1996)
    [s.l.] : Nature Publishing Group
    Nature 379 (1996), S. 521-523 
    Details
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] The liquid and solid states are thermodynamical concepts related to the time evolution of the relative positions of the constituents of a condensed material. Whereas in the solid there are no changes over a long timescale, the liquid has characteristic diffusive motions. These two concepts are at ...
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1038/379521a0
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