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  • 1
    Electronic Resource
    Electronic Resource
    The exact quantum mechanical kinetic energy operator in internal coordinates for vibration of a hexatomic molecule (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 108 (1998), S. 10084-10095 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The full nonrelativistic quantum mechanical vibrational J=0 kinetic energy operator for a hexatomic molecule, (A,B)-C-D-(E,F), expressed in valence stretch, bend, and torsion internal coordinates is given explicitly. The derivation of the operator is reviewed and some of its properties and possible applications discussed. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476469
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  • 2
    Electronic Resource
    Electronic Resource
    Response to "Comment on ‘Backward Euler and other methods for simulating molecular fluids' '' [J. Chem. Phys. 103, 9888 (1995)] (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 9890-9890 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469959
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  • 3
    Electronic Resource
    Electronic Resource
    The structures of CO–CH3CCH and N2–CH3CCH: Spectroscopic measurements and modeling (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 3415-3421 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Microwave and infrared measurements have been made for the van der Waals complexes N2–CH3CCH and CO–CH3CCH, and their isotopomers. The infrared spectra are complicated by the effects of a slightly hindered internal rotation of the propyne unit. Tunneling motions arising from the N2 or CO molecules are not apparent in the infrared spectra, but in the case of N2 are seen in the microwave spectra. Analysis of the spectral data shows that the dimers are near slipped parallel in structure. Their dipole moments are almost parallel to the dimer b axis, with center-of-mass separations of 3.756(1) A(ring) for CO–CH3CCH and 3.708(2) A(ring) for N2–CH3CCH. (The uncertainties shown in parentheses are two standard deviations.) A simple model based on electrostatic interactions between rigid monomers gives dimer structures in agreement with the experimental assignments, and in conjunction with an approximate model of dispersion energy allows estimation of barriers to internal rotation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.466385
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  • 4
    Electronic Resource
    Electronic Resource
    An instrument for measuring angular distribution of sputtered neutral atoms (1993)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 64 (1993), S. 452-459 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: An apparatus utilizing laser-induced fluorescence (LIF) has been developed to measure high-resolution angular distributions of sputtered neutral atoms. LIF provides sensitive detection, a feature necessary to monitor the low atomic fluxes inherent to angularly resolved sputtering measurements in the static sputtering regime. The apparatus incorporates a detector assembly which rotates about the sample in an ultrahigh vacuum (UHV) chamber, allowing a large range of angular measurements at different ion beam incidence angles. Laser light is brought to the detector in the UHV chamber via a single optical fiber and fluorescence photons exit the chamber via a fiber bundle. The optical fiber and fiber bundle are mounted in a fixed orientation on the detector, maintaining constant alignment as the assembly rotates. Angular resolution in the polar plane containing the incident ion beam and the surface normal is better than 3°. Angular resolution in the direction perpendicular to the polar plane is governed by the Doppler shift and is 0.028° for 3.2 eV atoms. Overall detection efficiency is estimated to be 5×10−9 counts per sputtered atom and 2×10−3 counts per atom entering the detection volume. Initial experiments using polycrystalline Zr to characterize the device are described.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1144215
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  • 5
    Electronic Resource
    Electronic Resource
    Molecular beam infrared spectra of dimers formed from acetylene, methyl acetylene, and ethene as a function of source pressure and concentration (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 1471-1477 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Infrared spectra have been obtained for dimers formed from acetylene, methyl acetylene, and ethylene using a wide variety of free jet source conditions. An F-center laser was used to excite various C–H stretch fundamentals in the range 3000–3300 cm−1. Rotational structure was resolved in the spectra of both acetylene and methyl acetylene dimers when dilute mixtures of either gas in helium were expanded from high pressures. The spectrum of the ethylene dimer showed no such structure even when formed in very dilute mixtures. These results contradict previous suggestions that the vibrational relaxation lifetime is uniformly short for all polyatomic dimers.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.449381
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  • 6
    Electronic Resource
    Electronic Resource
    Diffusion Monte Carlo simulation of condensed systems (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 5703-5707 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Diffusion Monte Carlo calculations are reported for liquid 4He using a Lennard-Jones potential and for solid molecular hydrogen using a reliable spherical pair potential and Axilrod–Teller three body interactions. Calculated thermodynamic and structural properties are in good agreement with experiment over a range of densities. Discrepancies between calculated and experimental values for hydrogen at the highest densities are attributed to the neglect of anisotropy in the calculations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452496
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  • 7
    Electronic Resource
    Electronic Resource
    High resolution infrared spectra of ethylene clusters (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 873-879 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Infrared predissociation spectra have been measured for ethylene clusters near the ν7 (950 cm−1) monomer band using CO2 lasers. One of the CO2 lasers was piezoelectrically scanned over a 240 MHz range around each rotational lasing transition, to obtain high resolution spectra of the ν7 band. The resulting spectra showed fine structure with widths of the order of 20 MHz, representing a lower limit on the predissociation lifetime of around 10 ns. The fine structure is shown to be due to ethylene dimers, and the broad background is attributed to a superposition of inhomogeneous contributions from larger clusters.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453242
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  • 8
    Electronic Resource
    Electronic Resource
    Total differential scattering cross sections for hydrogen scattered from nitrogen and hydrogen fluoride (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 3891-3895 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In-plane total differential scattering cross sections for H2 scattered from N2 and HF are reported. The data are analyzed in terms of spherical and anisotropic potentials using single channel and IOS methods for calculating the differential cross sections. In the case of H2/HF the diffraction oscillations are highly damped at small angles, suggesting that the anisotropy is large.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450909
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  • 9
    Electronic Resource
    Electronic Resource
    The infrared predissociation spectra of water clusters (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 3554-3562 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Infrared predissociation spectra of water clusters have been measured in the frequency range 3000–3800 cm−1 using a molecular beam–color center laser apparatus. The transition from a spectrum resembling that of liquid water to that of the dimer is clearly seen. Detailed theoretical analyses using normal mode theory, local mode theory, and a quantum simulation method are used to interpret the spectrum in terms of a potential surface that includes both intramolecular and intermolecular degrees of freedom.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.448935
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  • 10
    Electronic Resource
    Electronic Resource
    The infrared and microwave spectroscopy of the argon–propyne dimer (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 6031-6043 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Microwave and infrared measurements are reported for the van der Waals complex Ar–CH3CCH and its isotopomers. The structure is T shaped with equilibrium center-of-mass separation of 3.73 A(ring) and an angle of 82° between the molecule symmetry axis and the van der Waals bond. The infrared and microwave spectra are complex due to the effects of a slightly hindered internal rotor. Analysis of the spectral data shows that the dipole moment is almost parallel to the dimer b axis. A modified vibration/rotation Hamiltonian that includes an internal rotor potential is used to show that the barrier to internal rotation is near 10.8 cm−1.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464842
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