Bibliothek

X
feed icon rss

Ihre E-Mail wurde erfolgreich gesendet. Bitte prüfen Sie Ihren Maileingang.

Leider ist ein Fehler beim E-Mail-Versand aufgetreten. Bitte versuchen Sie es erneut.

Vorgang fortführen?

Exportieren
  • 1
    Digitale Medien
    Digitale Medien
    Simple semiclassical adiabatic calculation of anharmonic cross constants of a vibrational spectral fit (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 6674-6675 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: A simple classical adiabatic procedure, implemented with an EBK semiclassical quantization, permits the calculation of first order cross anharmonic constants of a vibrational spectral fit and shows their dependence on the anharmonicity of the coupling and not on the intrinsic anharmonicity of the modes. These first order corrections are identical to those obtained with a quantum mechanical approach.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.454409
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 2
    Digitale Medien
    Digitale Medien
    On the calculation of model potential parameters from molecular spectra (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 7572-7579 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: In this paper we propound a procedure for inversion of an energy spectrum in order to obtain the original Hamiltonian function, applicable to nonresonant multidimensional systems. We use the Lie transform method to find the appropriate EBK-quantizable Hamiltonian, explicitly dependent on the unknown potential parameters. Comparison with the observed spectra allows the determination of explicit expressions for those parameters in terms of the spectral parameters. We first illustrate these concepts with the construction of power series and perturbed Morse oscillator model potentials for diatomics, and its extension to a simple model of triatomics including bending motion. We finally apply the procedure to the construction of a Morse potential model for linear polyatomic molecules.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.454321
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 3
    Digitale Medien
    Digitale Medien
    Comment on "Theory of the Liapunov exponents of Hamiltonian systems and a numerical study on the transition from regular to irregular classical motion'' (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 7248-7249 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.452333
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 4
    Digitale Medien
    Digitale Medien
    Local group modes and the dynamics of intramolecular energy transfer across a heavy atom (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 5494-5503 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The dynamics of energy transfer is discussed for a model system in which two ligands are separated by a heavy atom. Numerical and analytical results are given for the case that each ligand is a CC. In the quasiperiodic regime, the dynamics are interpreted using perturbation theory. Local group modes involved in an intramolecular energy localization which can occur in this regime are identified. An approximate separation of the primarily ligand–ligand motions from the primarily ligand–metal–ligand ones occurs in the clearly quasiperiodic regime and also at an energy where the power spectra of the bond coordinates are "grassy.'' The overall analysis is used to make predictions for systems with larger ligands, when the primarily metal atom–ligand modes are, as above, approximately separable from the primarily intraligand ones.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.449906
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 5
    Digitale Medien
    Digitale Medien
    On an explicit semiclassical analytic formula for model potential parameters of diatomic molecules (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 7771-7772 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: We provide numerical values of parameters of a closed form semiclassical formula which gives the power expansion coefficients of the internuclear Born–Oppenheimer potential of diatomic molecules in terms of the experimental Dunham coefficients. These power expansion coefficients are useful as a first-order approximation to the potential and as best initial guess for the obtainment of more refined quantum values.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.461352
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 6
    Digitale Medien
    Digitale Medien
    Quantum algebraic method for the calculation of model potential parameters from spectral fits. I. Diatomics (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 8165-8171 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: We develop a quantum method that provides relations between adjustable parameters of model potentials and empirical spectroscopic constants and that subsequently permits the calculation of those parameters. The method is based on the comparison of the quantum normal form, obtained using the Lie transform, with the experimental fits of spectra. The well established consensus on the representation and amount of experimental data of rotovibrational spectra of diatomic molecules, not existent in the case of polyatomic molecules, makes us to specifically address, in a first step, the issues concerning them. We test the accuracy of the method by calculating quantum corrections to previously computed adjustable parameters by a similar but semiclassical method.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.460099
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 7
    Digitale Medien
    Digitale Medien
    Hamiltonian structure and Darboux theorem for families of generalized Lotka–Volterra systems (1998)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 39 (1998), S. 6162-6174 
    Details
    ISSN: 1089-7658
    Quelle: AIP Digital Archive
    Thema: Mathematik , Physik
    Notizen: This work is devoted to the establishment of a Poisson structure for a format of equations known as generalized Lotka–Volterra systems. These equations, which include the classical Lotka–Volterra systems as a particular case, have been deeply studied in the literature. They have been shown to constitute a whole hierarchy of systems, the characterization of which is made in the context of simple algebra. Our main result is to show that this algebraic structure is completely translatable into the Poisson domain. Important Poisson structures features, such as the symplectic foliation and the Darboux canonical representation, rise as a result of rather simple matrix manipulations. © 1998 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.532621
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 8
    Digitale Medien
    Digitale Medien
    Thermodynamic processes, time scales, and entropy production (1982)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 86 (1982), S. 70-73 
    Details
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1021/j100390a014
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
  • 9
    Digitale Medien
    Digitale Medien
    Oscillatory measurement of linear viscoelasticity: Dynamic moduli revisited (1991)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 29 (1991), S. 1525-1531 
    Details
    ISSN: 0887-6266
    Schlagwort(e): linear viscoelastic dynamic moduli, correction for anomalous behavior of ; nonlinear components in oscillatory measurement of dynamic moduli, correction for ; Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Notizen: The current technique for the measurement of linear viscoelastic dynamic moduli is reconsidered. The transfer function analysis reveals the existence of nonlinear components in the response of the sample in a wide range of excitation frequencies around the reasonances of the measuring system. This analysis permits the disclosure of the components of the response which behave in accordance to linear viscoelastic theory and separates the undesirable nonlinear components. This results in partial corrections of the anomalous behavior of the calculated dynamic moduli through the standard technique.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/polb.1991.090291209
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
    Artikel (Nationallizenzen)
    Volltext
Schließen ⊗
Diese Webseite nutzt Cookies und das Analyse-Tool Matomo. Weitere Informationen finden Sie hier...