Library

feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 7093-7110 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Three fairly strong emission bands of ArD at 6100, 6900, and 10 200 cm−1 have been studied at high resolution. They show very different structures: the first exhibits only Q-form branches, the second P, R, O, and S-form branches, and the third Q, S, and O-form branches. The rotational analysis of each of these bands is not trivial, mainly because the upper state of the first which proved to be also the lower state of the second and third is strongly affected by l uncoupling [i.e., transition to Hund's case (d)] and as a result the usual method of combination differences cannot be applied in their analysis. However, more sophisticated combination differences have been found between the three bands which lead to unambiguous assignments of rotational quantum numbers and thus to rotational constants. It was found that the upper state of the 6100 cm−1 band can be most conveniently represented as a p(2Σ,2Π) complex. This assumption, together with the theoretical selection rules for such a case, led to a full understanding of the structure of the three bands.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 1523-1537 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The general scheme of the qualitative analysis of finite-particle quantum problems is discussed. Theoretical methods for the qualitative analysis of energy spectra in quantum problems are applied to the study of the rovibrational energy levels of spherical top molecules. The existence of modifications in the rotational cluster structure and of redistributions of the energy levels between different branches under the rotational excitation is shown for the ν2 /ν4 dyad of the 12 CH4 and 28 SiH4 molecules. An interpretation of the qualitative features of energy spectra in terms of bifurcations and formations of conical intersection points (diabolic points) on the energy surfaces of the corresponding classical problem is proposed.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 906-918 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The structure of bending overtones of the H3+ and D3+ molecular ions at the energies below the barrier to linearity is analyzed using energies and wave functions from full three-dimensional discrete variable representation calculations. The lowest-in-energy states of the vibrational polyads ν2=4,5,6 are shown to follow the localization pattern of local bending modes, three equivalent-by-symmetry principal periodic trajectories of the corresponding classical two-mode system near the equilibrium.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 10520-10536 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Simple analytical formulas for the number of energy levels in the vibrational polyads are given. These formulas account for the resonances between the vibrational modes, and for the symmetry of the problem, so that the number of states of a particular symmetry type can be computed. The formulas are used to estimate the differential and integral densities of states from the minimum initial information about the molecule. Examples of the vibrational structure of triatomic molecules A3, tetrahedral molecules AB4, and linear molecules AB2 are considered. The analytical formulas are compared to the ab initio results for H3+ [J. R. Henderson et al., J. Chem. Phys. 98, 7191 (1993)]. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...