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  • American Institute of Physics (AIP)  (22.538)
  • American Physical Society (APS)  (18.604)
  • MDPI Publishing
  • 2010-2014  (35.535)
  • 1985-1989  (7.806)
  • 2011  (35.535)
  • 1988  (7.806)
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  • 2010-2014  (35.535)
  • 1985-1989  (7.806)
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  • 1
    Digitale Medien
    Digitale Medien
    Site-selective excitation of Eu3+ substituted sodium β‘ alumina single crystals (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5377-5381 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Broad band excitation spectra of Eu3+ substituted sodium β‘ alumina reveals that the Eu3+ ions occupy at least two distinct sites. Examination of the fluorescence spectrum excited by an ultraviolet laser (308 nm) reveals the presence of an additional site. 5D0→7FJ emission spectra characteristic of each site were obtained using site-selective excitation. A crystal-field analysis of the emission spectra thus obtained permits the assignment of these sites. The two inhomogeneously broadened 5D0→7F0 emissions at 569.4 and 576.7 nm are assigned as mid oxygen sites perturbed by various arrangements of the residual sodium ions, while the sharp 5D0→7F0 emission at 578.7 nm is assigned as the Beevers–Ross site.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455734
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  • 2
    Digitale Medien
    Digitale Medien
    Rotationally inelastic rates for N2–N2 system from a scaling theoretical analysis of the stimulated Raman Q branch (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5568-5577 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Self-broadened nitrogen isotropic Q(J) Raman linewidths have been inverted to obtain effective rotation–translation (R–T) state-to-state rate constants using the energy corrected sudden (ECS) formalism. These rate constants are discussed as a function of the rotational levels J and temperature T. Collisional Q(J) line shifts have been investigated by high-resolution inverse Raman spectroscopy (IRS) over a wide temperature range. Semiclassical calculations lead to a clear understanding of their J and T dependence. This exhaustive study of both diagonal and off-diagonal relaxation matrix elements has allowed us to calculate the collisionally narrowed Q branch at high pressure. New measurements of N2 Q branch at high pressure have been performed by IRS. The good agreement of ECS profiles with IRS data, for various pressures and temperatures, underlines the consistency of the present R–T ECS scaling analysis.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455563
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  • 3
    Digitale Medien
    Digitale Medien
    Nuclear magnetic resonance line shapes of exchanging spin 3/2 nuclei (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5584-5588 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: We present here a calculation of nuclear magnetic resonance (NMR) spectral line shapes of spin 3/2 nuclei exchanging between sites with different quadrupole interactions and different reorientational correlation times. The calculation, which is based on the solution of the semiclassical Liouville equation, is performed for the whole range of exchange rates and reorientational correlation times including very slow motions. It is shown that the linewidth at half-height does not vary in a simple way as a function of the exchange rate, but rather passes through two maxima.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455733
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  • 4
    Digitale Medien
    Digitale Medien
    Transport theory for the Lennard-Jones dense fluid (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5829-5833 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: A kinetic theory for a fluid of particles interacting via a pair potential with hard-core plus truncated tail is described and used to derive a transport theory for the Lennard-Jones fluid as well as the square-well fluid. Numerical results for shear viscosity, thermal conductivity, and the self-diffusion coefficient are given for the Lennard-Jones fluid and compared with simulation and experimental results. Our Lennard-Jones theory proves quantitatively useful over a wide range of states.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455533
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  • 5
    Digitale Medien
    Digitale Medien
    The solution of the hypernetted-chain and Percus–Yevick approximations for fluids of hard spherocylinders (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5861-5868 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The hypernetted-chain (HNC) and Percus–Yevick (PY) approximations are solved numerically for isotropic fluids of hard spherocylinders with length-to-breadth ratios ranging from 2 to 6. The theoretical results are compared with the available Monte Carlo data for the equation of state and the pair correlation function. The HNC theory was found to predict the existence of a nematic phase at densities in reasonable agreement with recent computer simulations.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455537
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  • 6
    Digitale Medien
    Digitale Medien
    Large local energy fluctuations in water. II. Cooperative motions and fluctuations (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5852-5860 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Large local energy fluctuations in liquid water and their physical origin are investigated by using classical molecular dynamics (MD) calculation and quenching techniques. Performing a trajectory calculation of 100 ps, it is found that large rotational motions of individual water molecules, which are always associated with potential energy destabilization of 10–20 kcal/mol, occur once in about 10 ps. The stabilization and destabilization of the individual water molecules are induced by cooperative motions. In order to analyze these cooperative motions in the liquid water, the water structures are quenched to their local minima (called the inherent structures). Comparing the inherent structures successively visited by the system, it is found that collective motions of about 10–40 molecules localized in space occur in unstable regions. The potential energy fluctuation of an individual molecule can reach up to 15 kcal/mol even in the inherent structures. The strong potential energy correlation among neighboring molecules indicates these cooperative motions cause the "flip–flop''-type energy exchanges; as a molecule is stabilized, another is to be unstabilized and vice versa. A flip-flop motion does not involve a (large) energy barrier but causes large energy fluctuations of the individual molecules. A large portion of potential energy fluctuations of the individual water molecules is accounted for as the superposition of fluctuations in the inherent structures and those in the normal modes build upon these structures.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455536
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  • 7
    Digitale Medien
    Digitale Medien
    Rheology of homogeneous block copolymers near the microphase separation transition (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5890-5897 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Mode coupling and fluctuation effects on the low frequency linear viscoelastic properties of homogeneous diblock copolymers are investigated. Attention is restricted to temperatures near, but not below the microphase separation transition (MST), where a homogeneous block copolymer melt first transforms to a spatially periodic, compositionally inhomogeneous morphology. We find that long-wavelength transverse momentum fluctuations couple only weakly to compositional order parameter fluctuations; the latter are predominantly on the scale of the radius of gyration. Crossover expressions are obtained for the renormalized transport and viscometric coefficients. The fluctuation contributions to these various coefficients are smaller than originally predicted at the MST, a consequence of refined calculations showing the MST to be a weakly first order phase transition.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455540
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  • 8
    Digitale Medien
    Digitale Medien
    Diffusion controlled reactions: Experimental verification of the time-dependent rate equation (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 4799-4806 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The transient effect in a diffusion limited reaction is described by a time-dependent rate coefficient: k(t)=a+b exp(c2t)erfc(ct1/2), where a, b, and c are expressed in terms of the diffusion coefficient (D), the encounter distance (R), and the absolute rate coefficient (ka); and for ionic reactions, the Onsager length (rc). Time resolved fluorescence quenching studies on cresyl violet–potassium iodide system in water confirm the validity of the above equation. The values of D and R obtained from the fluorescence quenching studies are in good agreement with the values inferred from other sources, and the value of ka is reasonable.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455673
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  • 9
    Digitale Medien
    Digitale Medien
    Photochemistry of hydrated electron clusters (H2O)−n (15≤n≤40) at 1064 nm: Size dependent competition between photofragmentation and photodetachment (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 4807-4814 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Photofragmentation is found to be surprisingly efficient when hydrated electron clusters (H2O)−n, 15≤n≤40, are excited at 1064 nm (1.165 eV). The decay probability into ionic channels rises sharply from zero in the size range 15≤n≤20 before leveling off at a value of 0.56±0.10. The propensity of smaller clusters to detach an electron rather than fragment is correlated with the peculiar shape of the cluster ion distribution obtained by dissociative attachment of low energy electrons onto neutral water clusters, where the ionic clusters are only observed in abundance for n≥11.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455674
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  • 10
    Digitale Medien
    Digitale Medien
    Fluorescence cross section of the H2O+ A˜ 2A1 (0, 7, 0) produced through photoionization of H2O (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5524-5526 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The cross section for production of the H2O+ A˜ 2A1(0,7,0)→X˜ 2B1(0,0,0) fluorescence through photoionization of H2O has been measured in the 14.5–20.5 eV region. The maximum quantum yield is 1.4×10−3 at 16.5 eV. Further, the cross sections for producing the H2O+[A˜ 2A1(0,7,0)] and H2O+ A˜ 2A1 have been estimated. The magnitude of the latter is about a factor of 10 smaller than that obtained by electron spectroscopy. The discrepancy can be attributed to radiationless transitions between the A˜ and X˜ states of H2O+.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.455558
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