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  • 1
    Electronic Resource
    Electronic Resource
    Mode selectivity in reactions of H with HOD(100), HOD(001), and HOD(002) (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 7852-7854 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Mode selectivity in reactions of hydrogen with deuterated water is studied. (AIP)
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462382
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  • 2
    Electronic Resource
    Electronic Resource
    Reduced dimensionality quantum calculations of mode specificity in OH+H2↔H2O+H (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 8906-8913 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report reduced dimensionality quantum calculations for zero total angular momentum of the OH+H2↔H2O+H reaction using the Walch–Dunning–Schatz–Elgersma potential. The three bending degrees of freedom of the tetra-atomic system are treated adiabatically in the harmonic approximation. The full six-mode potential is minimized with respect to the bending degrees of freedom, and the dynamics of the three radial degrees of freedom is governed by an effective potential given by the sum of this minimized potential plus the local adiabatic bending energy. The Schrödinger equation for the radial degrees of freedom is solved using a modification of the hyperspherical approach, which we have described previously. Vibrational state-to-state reaction probabilities are presented for the ground and first excited bending states of H2O. We examine the effect of exciting the vibrations of H2, OH, and H2O on the reaction probability, and the results are compared qualitatively with experiments, and previous calculations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462248
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  • 3
    Electronic Resource
    Electronic Resource
    Quantum calculations of mode specificity in reactions of H with HOD and H2O (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 6235-6247 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present approximate quantum calculations of cumulative reaction probabilities, rotationally averaged cross sections, and branching ratios for the reactions H+HOD and H+H2O, using the Walch–Dunning–Schatz–Elgersma potential. The calculations are done using the reduced dimensionality, adiabatic-bend approach in which the three internal bending degrees of freedom are treated adiabatically. The H+HOD calculations focus primarily on the effect of vibrationally exciting the OH or OD local modes of HOD on the reactivity, the branching ratios to form the products HD+OH and H2+OD, and their final vibrational state distributions. The calculations of the H+H2O reaction focus on two initial vibrational states, one with three quanta of vibrational excitation in the local mode stretch, and one with two quanta in one local mode and one quantum in the other local mode. The results are generally in good agreement with experiments and previous calculations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464817
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  • 4
    Electronic Resource
    Electronic Resource
    Quantum calculations of unusual mode specificity in H+C2H2→H2+C2H (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 8646-8662 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report reduced dimensionality coupled channel scattering calculations of rotationally averaged cross sections for the H+C2H2↔H2+C2H reaction. A new ten degree-of-freedom potential is developed for use in these calculations. This potential surface is based on a previous potential for C2H2 and C2H as well as previous ab initio calculations of the saddle point properties. We focus on the effect of exciting the symmetric and antisymmetric CH stretches, and symmetric CC stretch in C2H2 on the reactivity, and also on the vibrational distribution of the H2 and C2H products. A significant and surprising finding is that excitation of the CC stretch in combination with excitation of either the symmetric and/or antisymmetric stretch increases the reactivity significantly. A simple Franck–Condon model is used to rationalize these mode specific effects. The thermal rate constant for the H2+C2H→H+C2H2 reaction is also calculated in the temperature range from 200 to 400 K, and compared to limited experimental data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468060
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  • 5
    Electronic Resource
    Electronic Resource
    L2 calculations of resonances and final rotational distributions for HCO→H+CO (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 1021-1027 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present calculations for 40 resonances for nonrotating HCO, using an earlier fit to ab initio calculations of the HCO potential. The method used is a completely L2 approach, augmented by a localized negative imaginary potential which serves as an absorbing boundary in the asymptotic region. The real Hamiltonian is diagonalized in a large basis, using a truncation/recoupling approach, and a subset of the eigenvectors are then used to represent the complex Hamiltonian. This Hamiltonian is diagonalized yielding complex eigenvalues, some of which correspond to resonances. Final rotational distributions of the CO fragment are also calculated for two resonances by a straightforward scattering analysis of the complex L2 wave functions in the near asymptotic region. Comparisons of the new results are made with previous time-independent and time-dependent calculations, and with experiment, including two sets of very recent, preliminary experiments that have determined resonance widths.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.466684
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  • 6
    Electronic Resource
    Electronic Resource
    New Reduced Dimensionality Calculations of Cumulative Reaction Probabilities and Rate Constants for the H + H2 and D + H2 Reactions (1994)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 7994-7999 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100084a013
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  • 7
    Electronic Resource
    Electronic Resource
    Hyperspherical harmonics for tetraatomic systems (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 9184-9208 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A recursion procedure for the analytical generation of hyperspherical harmonics for tetraatomic systems, in terms of row-orthonormal hyperspherical coordinates, is presented. Using this approach and an algebraic Mathematica program, these harmonics were obtained for values of the hyperangular momentum quantum number up to 30 (about 43.8 million of them). Their properties are presented and discussed. Since they are regular at the poles of the tetraatomic kinetic energy operator, are complete, and are not highly oscillatory, they constitute an excellent basis set for performing a partial wave expansion of the wave function of the corresponding Schrödinger equation in the strong interaction region of nuclear configuration space. This basis set is, in addition, numerically very efficient and should permit benchmark-quality calculations of state-to-state differential and integral cross sections for those systems. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1412603
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  • 8
    Electronic Resource
    Electronic Resource
    Semidirect products and wreath products of strongly π-inverse monoids (1996)
    Springer
    Georgian mathematical journal 3 (1996), S. 293-300 
    Details
    ISSN: 1572-9176
    Keywords: 20M18 ; Wreath product ; π-inverse monoid ; regular monoid ; group congruence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mathematics
    Notes: Abstract In this paper we determine the necessary and sufficient conditions for the semidirect products and the wreath products of two monoids to be strongly π-inverse. Furthermore, we determine the least group congruence on a strongly π-inverse monoid, and we give some important isomorphism theorems.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02280010
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  • 9
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    Changes in membrane properties of rat deep cerebellar nuclear projection neurons during acquisition of eyeblink conditioning (2018)
    National Academy of Sciences
    Details
    Publication Date: 2018-08-28
    Description: Previous studies have shown changes in membrane properties of neurons in rat deep cerebellar nuclei (DCN) as a function of development, but due to technical difficulties in obtaining viable DCN slices from adult animals, it remains unclear whether there are learning-related alterations in the membrane properties of DCN neurons in adult rats. This study was designed to record from identified DCN cells in cerebellar slices from postnatal day 25–26 (P25–26) rats that had a relatively mature sensory nervous system and were able to acquire learning as a result of tone–shock eyeblink conditioning (EBC) and to document resulting changes in electrophysiological properties. After electromyographic electrode implantation at P21 and inoculation with a fluorescent pseudorabies virus (PRV-152) at P22–23, rats received either four sessions of paired delay EBC or unpaired stimulus presentations with a tone conditioned stimulus and a shock unconditioned stimulus or sat in the training chamber without stimulus presentations. Compared with rats given unpaired stimuli or no stimulus presentations, rats given paired EBC showed an increase in conditioned responses across sessions. Whole-cell recordings of both fluorescent and nonfluorescent DCN projection neurons showed that delay EBC induced significant changes in membrane properties of evoked DCN action potentials including a reduced after-hyperpolarization amplitude and shortened latency. Similar findings were obtained in hyperpolarization-induced rebound spikes of DCN neurons. In sum, delay EBC produced significant changes in the membrane properties of juvenile rat DCN projection neurons. These learning-specific changes in DCN excitability have not previously been reported in any species or task.
    Print ISSN: 0027-8424
    Electronic ISSN: 1091-6490
    Topics: Biology , Medicine , Natural Sciences in General
    Published by National Academy of Sciences
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  • 10
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    Analytical Derivation of Row-Orthonormal Hyperspherical Harmonics for Triatomic Systems† (2009)
    American Chemical Society
    Details
    Publication Date: 2009-12-31
    Print ISSN: 1089-5639
    Electronic ISSN: 1520-5215
    Topics: Chemistry and Pharmacology , Physics
    Published by American Chemical Society
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