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  • 1
    Electronic Resource
    Electronic Resource
    Fourier transform microwave rotational spectra of the Ne2–N2O and Ar2–N2O van der Waals trimers (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 3919-3928 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A pulsed molecular beam cavity Fourier transform microwave spectrometer was used to measure pure rotational spectra of nine isotopomers of Ne2–N2O, and of three isotopomers of the Ar2–N2O van der Waals trimer. For Ne2–N2O, these are 20Ne20Ne–14N14N16O, 20Ne22Ne–14N14N16O, 22Ne22Ne–14N14N16O, 20Ne20Ne–15N14N16O, 20Ne22Ne–15N14N16O, 22Ne22Ne–15N14N16O, 20Ne20Ne–14N15N16O, 20Ne22Ne–14N15N16O, and 22Ne22Ne–14N15N16O. Those for Ar2–N2O are 40Ar40Ar–14N14N16O, 40Ar40Ar–15N14N16O, and 40Ar40Ar–14N15N16O. The spectra were measured in the frequency range between 3 and 18 GHz. Both a- and c-type transitions were measured for all Ne2–N2O isotopomers. In the case of the mixed, 20Ne22Ne containing, isotopomers a small b-dipole moment occurs and two b-type transitions were measured. In the spectra of Ar2–N2O only b- and c-type transitions were measured. Rotational and centrifugal distortion constants were determined for all the isotopomers of each complex. The spectral analyses show that Ne2–N2O is a highly asymmetric prolate rotor (κ=−0.158 for 20Ne20Ne–14N14N16O) while Ar2–N2O is a highly asymmetric oblate rotor (κ=0.285 for 40Ar40Ar–14N14N16O). Both trimers were found to have distorted tetrahedral structures with the rare gases tilted towards the O atom of the N2O subunit. Nuclear quadrupole hyperfine structures due to both terminal and central 14N nuclei were observed and analyzed to give the nuclear quadrupole coupling constants, χaa(1), χbb(1) and χaa(2), χbb(2). The resulting spectroscopic constants were utilized to derive ground state effective structures, ground state average structures, and partial substitution structures. Harmonic force field analyses were performed for each complex using the obtained quartic centrifugal distortion constants. The results of the spectroscopic analyses are discussed in the light of possible three-body nonadditive interactions. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479695
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  • 2
    Electronic Resource
    Electronic Resource
    n-type doping of oxides by hydrogen (2002)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 81 (2002), S. 73-75 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: First-principles total-energy calculations suggest that interstitial hydrogen impurity forms a shallow donor in SnO2, CdO, and ZnO, but a deep donor in MgO. We generalize this result to other oxides by recognizing that there exist a "hydrogen pinning level" at about 3.0±0.4 eV below vacuum. Materials such as Ag2O, HgO, CuO, PbO, PtO, IrO2, RuO2, PbO2, TiO2, WO3, Bi2O3, Cr2O3, Fe2O3, Sb2O3, Nb2O5, Ta2O5, FeTiO3, and PbTiO3, whose conduction band minimum (CBM) lie below this level (i.e., electron affinity〉3.0±0.4 eV) will become conductive once hydrogen is incorporated into the lattice, without reducing the host. Conversely, materials such as BaO, NiO, SrO, HfO2, and Al2O3, whose CBM lie above this level (i.e., electron affinity〈3.0±0.4 eV) will remain nonconductive since hydrogen forms a deep impurity. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1482783
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  • 3
    Electronic Resource
    Electronic Resource
    Liouville vortex and cursive-phi4 kink solutions of the Seiberg–Witten equations (1996)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 37 (1996), S. 3753-3759 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The Seiberg–Witten equations, when dimensionally reduced to R2, naturally yield the Liouville equation, whose solutions are parametrized by an arbitrary analytic function g(z). The magnetic flux Φ is the integral of a singular Kaehler form involving g(z); for an appropriate choice of g(z), N coaxial or separated vortex configurations with Φ=2πN/e are obtained when the integral is regularized. The regularized connection in the R1 case coincides with the kink solution of cursive-phi4 theory. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.531628
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  • 4
    Electronic Resource
    Electronic Resource
    Thermal conductivity of diamond and related materials from molecular dynamics simulations (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 6888-6900 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Based on the Green–Kubo relation from linear response theory, we calculated the thermal current autocorrelation functions from classical molecular dynamics (MD) simulations. We examined the role of quantum corrections to the classical thermal conduction and concluded that these effects are small for fairly harmonic systems such as diamond. We then used the classical MD to extract thermal conductivities for bulk crystalline systems. We find that (at 300 K) 12C isotopically pure perfect diamond has a thermal conductivity 45% higher than natural (1.1% 13C) diamond. This agrees well with experiment, which shows a 40%–50% increase. We find that vacancies dramatically decrease the thermal conductivity, and that it can be described by a reciprocal relation with a scaling as nv−α, with α=0.69±0.11 in agreement with phenomenological theory (α=1/2 to 3/4). Such calculations of thermal conductivity may become important for describing nanoscale devices. As a first step in studying such systems, we examined the mass effects on the thermal conductivity of compound systems, finding that the layered system has a lower conductivity than the uniform system. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1310223
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  • 5
    Electronic Resource
    Electronic Resource
    Preliminary classification of qt=f(q,qx,qxx,qxxx) (1996)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 37 (1996), S. 3050-3061 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The preliminary classification of qt=f(q,qx,qxx,qxxx) is given. The results are compared with Fokas's symmetry and Mikhailov–Shabat–Sokolov formal symmetry approaches. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.531692
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  • 6
    Electronic Resource
    Electronic Resource
    A Supernova at z = 0.458 and Cosmology (1993)
    Oxford, UK : Blackwell Publishing Ltd
    Annals of the New York Academy of Sciences 688 (1993), S. 0 
    Details
    ISSN: 1749-6632
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Natural Sciences in General
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1749-6632.1993.tb43936.x
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  • 7
    Electronic Resource
    Electronic Resource
    Case report of the Prader-Willi syndrome (1990)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of clinical periodontology 17 (1990), S. 0 
    Details
    ISSN: 1600-051X
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: Abstract A case of Prader-Willi Syndrome in a 12-year-old girl is described, together with the dental findings which exhibit extensive periodontal disease for her age, which has hitherto not been recorded in the literature.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1600-051X.1990.tb01049.x
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  • 8
    Electronic Resource
    Electronic Resource
    Electron correlation effects on the static longitudinal second hyperpolarizability of polymeric chains. Møller–Plesset perturbation theory investigation of hydrogen model chains (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 3592-3603 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Ab initio calculations of the static longitudinal second hyperpolarizability of molecular hydrogen model chains have been performed at different levels of approximation to investigate the effects of including electron correlation, as well as the variation of these effects as a function of the atomic basis set. Inclusion of electron correlation within the Møller–Plesset schemes limited to second (MP2), third (MP3), and fourth (MP4) order in electron–electron interactions leads to an increase of the longitudinal second hyperpolarizability per unit cell which is mainly due to the second-order correction provided that a sufficiently extended basis set is used. Indeed, whereas the basis set does not influence significantly the UCHF and CHF values, a too small basis set underestimates the positive second-order contribution, overestimates the negative third-order contribution and leads to a fourth-order contributions having an incorrect sign. This positive electron correlation correction for the second hyperpolarizability is opposite to the negative correction brought to the static longitudinal polarizability per unit cell for which the CHF level with a split-valence basis set provides reliable polarizability estimates. The present investigation points out that good estimates of the second hyperpolarizability are already obtained by using the MP2 procedure with a sufficiently extended basis set. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.472536
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  • 9
    Electronic Resource
    Electronic Resource
    Peristaltic instability of cylindrical gels (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 1735-1738 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We investigate here the stability of a gel cylinder subject to a strong surface tension. Both the criteria for the occurrence of a peristaltic instability and its dynamical evolution are determined within linear elasticity. Shrinking gels may show such an instability, as has been reported by Matsuo and Tanaka [Nature 358, 482 (1992)]. Considering approximate values of the relevant parameters, we find results in qualitative agreement with their experiments. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.472544
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  • 10
    Electronic Resource
    Electronic Resource
    Casimir energy of the massless conformal scalar field on S-2 by the point-splitting method (1997)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 38 (1997), S. 5240-5255 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: We calculate the Casimir energy of the massless conformal scalar field on the surface (S-2) of a 3 dimensional Riemann sphere by using the point-splitting, mode sum and the ζ-function renormalization methods. We also consider the half space case with both the Dirichlet and the Neumann boundary conditions. This problem is interesting since the Casimir energy could be calculated analytically by various methods, thus allowing us to compare different regularization schemes. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.531939
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