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  • 1
    Digitale Medien
    Digitale Medien
    Cage molecules containing elements of groups V and VI. I. Structure determinations using simulated annealing (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 2942-2950 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Density functional calculations with simulated annealing have been performed to determine the structures and relative stabilities of stable isomers of seven-membered molecules containing elements of groups V (phosphorus, arsenic) and VI (sulfur, selenium, and tellurium). Particular attention is focused on structures related to P4S3 and P2S5, including the families PnAs4−nS3−mSem and P4SnTe3−n. We show that the bonding trends in all these molecules can be understood in terms of transferable bond energies.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.461991
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  • 2
    Digitale Medien
    Digitale Medien
    Cage molecules containing elements of groups V and VI. II. Molecular dynamics study of P4S3 and P3−7 (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 2951-2952 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Molecular dynamics (MD) simulations have been performed to determine the stability of the cagelike structure of the seven-membered systems P3−7 and P4S3. In both cases the cage structure remains intact during simulations of several picoseconds. However, fluxional behavior of the P3−7 trianion could be observed directly, whereas no isomerization took place in P4S3.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.461992
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  • 3
    Digitale Medien
    Digitale Medien
    Structure of phosphorus clusters using simulated annealing. II. P9, P10, P11, anions P2−4, P2−10, P3−11, and cations P+n to n=11 (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 7564-7572 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Previous calculations on the structures of isomers of phosphorus clusters P2 to P8 [density functional calculations with simulated annealing (SA), J. Chem. Phys. 92, 6710 (1990)] have been extended to P9, P10, and P11. The tendency of phosphorus to form tubular structures is already evident in clusters of this size. We have also performed calculations on additional isomers of the hexamer P6, positive ions up to P+11, and the P2−4, P2−10, and P3−11 anions. Ionization energies agree well with available measurements [P1 to P4] and show trends that can be correlated with the structures and the measured relative abundances of the ions. The calculated structure of P3−11 agrees very well with x-ray diffraction data, and we observe isomerization in P9 resulting from charge transfer. A simplified SA scheme using a linear combination of atomic orbitals (LCAO) has been used to aid the analysis of the results.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.462408
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  • 4
    Digitale Medien
    Digitale Medien
    Nonlinear optical probing of nanocrystalline orientation in epitaxial ferroelectric thin films (2002)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 362-366 
    Details
    ISSN: 1089-7550
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: Epitaxially grown ferroelectric BaBi4Ti4O15 thin films were studied by optical second-harmonic (SH) generation using a femtosecond titanium:sapphire laser at 800 nm wavelength. By varying both the incidence and the azimuthal angle and registering the second-harmonic intensity, a significant correlation was found between the azimuthal dependence of the measured SH signal and the nanoscopic texture of the samples, which was determined by electron microscopy and x-ray diffraction. In particular, two different types of grains with different crystallographic orientations generate different SH intensity maxima with fourfold azimuthal symmetry, distinguishable from an isotropic background due to a c-axis oriented main layer. This correlation suggests the use of the SH technique for a purely optical characterization of the film orientation and thickness. © 2002 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.1420764
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  • 5
    Digitale Medien
    Digitale Medien
    Erratum: "Ultrashort laser pulse induced deformation of silver nanoparticles in glass" [Appl. Phys. Lett. 74, 1200 (1999)] (2000)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 77 (2000), S. 459-459 
    Details
    ISSN: 1077-3118
    Quelle: AIP Digital Archive
    Thema: Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.127010
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  • 6
    Digitale Medien
    Digitale Medien
    Photoelectron investigations and density functional calculations of anionic Sbn− and Bin− clusters (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 9719-9728 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: We recorded photoelectron spectra of antimony Sb−N=2–9 and of bismuth clusters Bi−N=2–9 with a photon energy of 4.03 eV, as well as of Bi−N=2–21 with a photon energy of 5.0 eV. The experimentally determined photoelectron thresholds and peak positions of Sb−N=2–5 and Bi−N=2–5 are compared with the results of ab initio density-functional (LCAO) calculations. The agreement between the experimental thresholds and the calculated adiabatic electron affinities, as well as between the first maxima in the spectra and the calculated vertical detachment energies is fair to good for the antimony clusters and qualitative for the bismuth systems. For the calculation of the ionization (detachment) energies we determined for the neutral and anionic clusters the most stable structures by LCAO calculations. In particular, the tetramer cluster anions have a "roof'' structure, while the negatively charged pentamers are planar rings [with similarities to the (C5H5)− anion]; positive and negative trimers are nonlinear. Furthermore, the ionization energies and affinities of larger antimony and bismuth clusters are discussed qualitatively and compared to jellium calculations of Seidl and Brack. © 1996 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.471733
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  • 7
    Digitale Medien
    Digitale Medien
    Ultrashort laser pulse induced deformation of silver nanoparticles in glass (1999)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 74 (1999), S. 1200-1202 
    Details
    ISSN: 1077-3118
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: Irradiating intense femtosecond laser pulses on a glass sample containing silver nanoparticles results in permanent sample color changes if the laser wavelength is in the region of the particles' surface plasmon resonance. In particular, even a single pulse of appropriate intensity can modify the initially isotropic extinction of glass containing spherical particles to a dichroic sample behavior in the irradiated area. This observation is interpreted as ultrafast particle deformation induced by the laser pulse creating nonspherical particles of uniform orientation. © 1999 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.123498
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  • 8
    Digitale Medien
    Digitale Medien
    Vibrational and orientational relaxation of monomeric water molecules in liquids (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 36-45 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: A polarization resolved infrared double resonance experiment with picosecond pulses has been used to measure the vibrational and orientational relaxation times of monomeric water and heavy water molecules in different organic solvents after excitation of the antisymmetric ν3 vibration. In all investigated systems a fast (but definitely time resolved) equilibration among the OH (OD) stretch vibrations was found, followed by a rather slow decay of this ensemble. Furthermore hints to a medium lived intermediate state, most likely the bending vibration, are reported. The principal relaxation scheme is very similar to that of water vapor. Comparing H2O and D2O in different solvents significant differences were found, which can be understood at least semiquantitatively. The orientational relaxation times of H2O and D2O differ by a factor of 2, which can be explained by the influence of weak hydrogen bonds of different strength for H2O and D2O on the orientational relaxation. Additionally interesting aspects of the transient spectra are discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.464629
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  • 9
    Digitale Medien
    Digitale Medien
    Time-resolved observation of intermolecular vibrational energy transfer in liquid bromoform (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 6349-6354 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Efficient intermolecular energy transfer between the C–Br stretching modes ν2 and ν5 of bromoform molecules in the liquid phase has been observed directly in time-resolved experiments applying vibrational pump–probe spectroscopy with picosecond laser pulses. An analysis of results on CHBr3, CDBr3, and an isotopic mixture of both yields a typical time constant of 25±15 ps for this rather efficient, near-resonant intermolecular relaxation channel. Additional new details about the intramolecular pathways of vibrational energy relaxation have been determined for the pure substances. © 2000 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.481195
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  • 10
    Digitale Medien
    Digitale Medien
    Electronic structure analysis of LnBa"2Cu"3O"7"-"x: Implications on normal and superconductivity
    Amsterdam : Elsevier
    Physica C: Superconductivity and its applications 153-155 (1988), S. 1243-1244 
    Details
    ISSN: 0921-4534
    Quelle: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Thema: Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1016/0921-4534(88)90262-6
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