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  • Diabatic potential energy curves  (2)
  • General, theoretical, and mathematical biophysics (including logic of biosystems, quantum biology, and relevant aspects of thermodynamics, information theory, cybernetics, and bionics)  (1)
  • 1995-1999  (3)
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  • 1995-1999  (3)
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  • 1
    Digitale Medien
    Digitale Medien
    Springer
    Il nuovo cimento della Società Italiana di Fisica 17 (1995), S. 983-991 
    ISSN: 0392-6737
    Schlagwort(e): General, theoretical, and mathematical biophysics (including logic of biosystems, quantum biology, and relevant aspects of thermodynamics, information theory, cybernetics, and bionics) ; Molecular dynamics, conformational changes, and pattern recognition in biomolecules ; Physical chemistry of solutions of biological macromolecules
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Summary We introduce a general scheme to assign statistical weights to alla priori pathways in conformation space for an aggregate of interacting particles that undergoes a series of unimolecular events in a limited time frame. Illustrations of such systems are biopolymers that fold intramolecularly or macromolecules of biological relevance that exert their function onto themselves through a series of structural rearrangements under the severe time constraints imposed by enzymatic timing. We endow the space of kinetically controlled pathways with a regular measure induced by a stochastic process built upon a complex potential energy landscape. This process simulates the progressive and opportunistic exploration of basins of attraction of critical points in the molecular potential energy. The derivation is general and holds for any diffusion-like process subject to time constraints and governed by thermal fluctuations upon a complex energy landscape. Within this framework, the ensemble of physically relevant kinetically arrested states becomes a cross-section of the ensemble of pathways at a fixed instant.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 2
    ISSN: 1432-2234
    Schlagwort(e): Functional sensitivity densities ; Nonadiabatic collisions ; Diabatic potential energy curves
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary The functional sensitivity densities δ ln σ12(E)/δ lnV ii (R) for He++Ne(2p 6)→He++Ne(2p 53s) reveal that the collisional excitation cross section σ12(E) is insensitive to the additional diabatic curveV 33 included in some models. The negligible sensitivity of σ12(E) toV 33 offers a quantitative validation of the more popular two state model for collisional excitation of Ne by He+. The sensitivity profiles for the collisional ionization Li+I→Li++I− modeled by crossing diabatic curvesV 11 (covalent) andV 22 (ionic) shows that the ionization cross section does not depend on inner crossings even when these stem from large distortions in the underlying potential energy curves. The lack of sensitivity to inner crossings establishes the predominant role of the outermost crossing in triggering nonadiabatic transitions.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 3
    ISSN: 0040-5744
    Schlagwort(e): Key words: Functional sensitivity densities ; Nonadiabatic collisions ; Diabatic potential energy curves
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Summary.  The functional sensitivity densities δ ln σ12(E)/δ ln V ii (R) for He++Ne(2p 6)→He++Ne(2p 53s) reveal that the collisional excitation cross section σ12(E) is insensitive to the additional diabatic curve V 33 included in some models. The negligi ble sensitivity of σ12(E) to V 33 offers a quantitative validation of the more popular two state model for collisional excitation of Ne by He+. The sensitivity profiles for the collisional ionization Li+I→Li++I- modeled by crossing diabatic curves V 11 (covalent) and V 22 (ionic) shows that the ionization cross section does not depend on inner crossings even when these stem from large disto rtions in the underlying potential energy curves. The lack of sensitivity to inner crossings establishes the predominant role of the outermost crossing in triggering nonadiabatic transitions.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
    BibTip Andere fanden auch interessant ...
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