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  • 1
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Résumé On a développé l’Hamiltonien de la dynamique d’un défaut structurel dans un système linéaire de liaisons hydrogène (par exemple, un défaut produit dans de la glace par un proton excessif). On a tenu compte explicitement des couplages entre le défaut et les phonons. On a discuté de la nature de ces couplages et on a présenté, pour un système modèle les résultats d’un calcul opérant sur un “self consistent field” (SCF) à ensemble minimal de bases vectorielles. Il s’est révélé que le couplage aux phonons longitudinaux est particulièrement fort.
    Abstract: Zusammenfassung Der Hamiltonoperator für die Dynamik eines Strukturdefektes in einem linearen System von Wasserstoffbrückenbindungen (etwa analog dem Excessproton in Eis) wird entwickelt samt expliziten Ausdrücken für die Kopplungen zwischen dem Defekt und den Phononen. Die Natur dieser Kopplungen wird diskutiert und die Ergebnisse einer SCF-Rechnung mit minimaler Basis an einem Modell-System dargelegt. Die Kopplung zu den longitudinalen Phononen stellt sich als sehr stark heraus.
    Notes: Abstract The Hamiltonian for the dynamics of a structural defect in a linear hydrogen bonded system (e.g., one analogous to an excess proton in ice) is developed, including explicit expressions for the coupling between the defect and phonons. The nature of these couplings are discussed and the results of a minimal basis set SCF calculation on a model system presented. The coupling to the longitudinal phonons is found to be very strong.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1435-1536
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1432-1432
    Keywords: Information gain by accepted point mutations ; Protein evolution ; Protein compositions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Summary The information contained in the composition of different proteins of the same family is analyzed. It is found that within each family the gain in information per amino acid replacement is constant. This finding is interpreted to imply that evolutionary changes in proteins follow an “optimal” path in the sense that they maximize the number of potentially functional sequences that can be generated by T accepted point mutations from a given protein, subject to restrictions due to biological function.
    Type of Medium: Electronic Resource
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  • 4
    Publication Date: 2019-05-23
    Description: Internal relaxation theory in chemical kinetics
    Keywords: PHYSICS, ATOMIC, MOLECULAR, AND NUCLEAR
    Type: NASA-CR-62397
    Format: application/pdf
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  • 5
    Publication Date: 2019-05-29
    Description: Master equation derived and applied to problems of internal vibrational relaxation and intramolecular rearrangement reactions
    Keywords: CHEMISTRY
    Type: NASA-CR-76432
    Format: application/pdf
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