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The vapor phase vacuum ultraviolet absorption spectra of methyl bromide, methylene bromide, bromoform, and carbon tetrabromide are reported for the region 40 000−90 000 cm −1 (250−110 nm). Many of the Rydberg and intravalent absorptions of the bromine electrons in the nonbonding p orbitals,...
The preparation of H x TaS 2 (0 < x < 0.87) is described. The compounds are only marginally stable at room temperature, slowly evolving H 2 S and H 2 (and possibly H 2 O in air). Magnetic susceptibility data show that a low temperature transformation in 2H⋅⋅⋅TaS 2 (at 80°K) is suppressed...
A method, similar to the Born−Oppenheimer approximation for bound molecular states, is developed for the calculation of radial coupling matrix elements. (AIP)
The syntheses and transport properties of the complex salt (TMPD) (TCNQ) 2 are described. At high temperatures ( T ≳100°K), the complex is a magnetic semiconductor with transport properties intermediate between those found in the highly conducting and poorly conducting TCNQ salts. The complex...
A normal coordinate analysis of cellulose I has been performed for an isolated chain using a valence force field and atomic coordinates from an x−ray refinement analysis. The calculated frequencies show good agreement with the observed infrared and Raman data, while the computed potential...
The fluorescence spectrum of NO 2 produced by laser excitation in the visible region consists of a discrete banded structure superimposed on what appears to be a continuum. Previous experiments have implied that the intensity of continuum emission increases relative to that of the discrete...
A gas/liquid solution was formed by applying up to 70 (MPa) of argon to n −octane. The molecular dynamics of octane in the solution were measured by NMR relaxation techniques. A relatively insoluble gas, helium, was also applied so that the effect of pressure could be contrasted with the effect...
A method for the variational calculation of multidimensional eigenstates of a Hamiltonian for the nonharmonic bounded nuclear motion in a molecule is presented. For the case where the potential energy along an internal reference coordinate ξ is strongly nonharmonic, while perpendicular to this...
The Onsager matrix for the liquid−vapor phase change of a monatomic gas in the presence of a Knudsen layer is calculated for a general gas surface sscattering law. The linearized Boltzmann equation is solved by the variational technique. The driving forces are the macroscopic pressure and...
Calculations have been carried out to account for the relative intensities of the Fermi−resonant modes in the observed neutron−scattering spectrum of carbon dioxide. Qualitative agreement is achieved if the scattering is assumed to be predominantly incoherent.
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