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The fraction of molecules that vaporize from a surface and escape through a cylindrical hole to a condenser (escape probability) has been calculated by Monte Carlo methods for the case of hemispherical (concave and convex) and flat surfaces. The results for vaporization from the flat surface are...
Scattering matrices accurately computed via close‐coupling techniques are analyzed and discussed as a function of critical parameters of an atom–diatomic molecule scattering system. The usefulness of the t t test for delineating the region of strong coupling and ascertaining the range over...
Upper and lower bounds for the ground‐state energy of linear symmetric H 3 2+ are calculated at several nuclear separations as an example of the boundary condition method; it is verified that this form is not stable with respect to dissociation.
The effects of nuclear spin on the expressions for the degeneracy averaged cross section for the collision between rigid diatomic molecules with rotational structure which interact through a soft, nearly spherical potential are considered. The development is based on a perturbation method which...
The electronic structures of the ground and low‐lying excited states of thymine and the anions 1‐HT − and 3‐HT − , derived by removing a proton from nitrogen atom N 3 and N 1 , respectively, have been described by all‐electron all‐integral LCAO☒SCF calculations using Gaussian...
Ammonia and ammonia‐ d 3 have been examined with high resolution photoelectron spectroscopy using the 584‐ Å resonance line of helium. The spectra consist of two electronic states which are formed as a result of severe geometrical changes in the ground state molecule. The onset for the first...
An electron spin resonance (ESR) study of the m I ‐dependent linewidth of the hyperfine pattern from cesium–amine solutions is reported. The ESR spectrum of the monomer in dilute solutions has Lorentzian‐shaped lines. A two‐state equilbrium model is sufficient to describe the linewidth...
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