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  • 1
    Electronic Resource
    Electronic Resource
    Product rotational polarization: Stereodynamics of the reaction Cl(2P3/2)+CD4(v=0,j=0)→DCl(v′=0,j′=1)+CD3 (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 3710-3716 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The angular momentum polarization of the products of the reaction Cl(2P3/2)+CD4(v=0,j=0)→DCl(v′=0,j′=1)+CD3 is calculated via the quasiclassical trajectory method (QCT) based on extended London–Eyring–Polanyi–Sato (LEPS) potential energy surface (PES) at a collision energy of 0.28 eV (6.46 kcal/mol). In the stationary target frame (STF), the rotational alignment factor A0(2)stf has been calculated. In the meantime, we also present four polarization dependent "generalized" differential cross sections (PDDCS) (2π/σ)(dσ00/dωt), (2π/σ)(dσ20/dωt), (2π/σ)(dσ22+/dωt), and (2π/σ)(dσ21−/dωt) in the center of mass frame. Furthermore, the distribution of dihedral angle P(φr), the distribution of angle between k′ and J′, P(θtr), and the angular distribution of product rotational vectors in the form of polar plots in θr and φr are calculated as well. The calculated results are in good agreement with the experimental data. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480523
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  • 2
    Electronic Resource
    Electronic Resource
    Semirigid vibrating rotor target calculation for reaction H+HOD→H2+OD, HD+OH (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 7013-7017 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The semirigid vibrating rotor target (SVRT) model is applied to study the branching reaction H+HOD→H2+OD, HD+OH on the Schatz–Elgersma potential energy surface. Using the SVRT model, the time-dependent wave packet calculation is carried out in four-mathematical dimensions with the two additional internal coordinates fixed at/near transition state geometries. The reaction probabilities for producing two product branches are calculated from two separate dynamics calculations. Comparison with results from the six-dimensional dynamics calculation shows that the SVRT reaction probabilities and cross sections for both branching products are accurate within a wide range of collision energy. This shows that the SVRT model is capable of giving quantitatively accurate dynamics information for polyatomic reactions. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1359447
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  • 3
    Electronic Resource
    Electronic Resource
    Rotational alignment of products from NOCl+Sr chemiluminescent reaction (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 1819-1823 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The chemiluminescent reactions Sr+NOCl→SrCl(A,B)+NO are studied under the single collision conditions in a beam-gas arrangement. The product rotational alignment 〈P2(J(circumflex)′⋅k(circumflex))〉=−0.40±0.05 for SrCl(B) is obtained from Sr+NOCl chemiluminescent reactions. In addition, the electronic state branching ratio and the product vibrational state distribution have been roughly estimated by simulating the chemiluminescent spectra of SrCl. Quasiclassical trajectory (QCT) calculations for the Sr+NOCl reaction as a three-body system have been carried out. The calculated results agree well with the experimental ones. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476757
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  • 4
    Electronic Resource
    Electronic Resource
    Product rotational polarization in the photoinitiated bimolecular reaction A+BC→AB+C on attractive, mixed and repulsive surfaces (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 5446-5454 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The product rotational polarization is reported using the quasiclassical trajectory method for the photoinitiated bimolecular reaction A+BC→AB+C. The model takes the form of a 3D quasiclassical trajectory study of a hypothetical exothermic reaction employing combinations of (a): three different potential energy surfaces (attractive, mixed and repulsive), (b): three markedly different reagent mass combinations (H+HL, H+LL and H+HH, where L≡1 amu and H≡80 amu). Four PDDCSs (2π/σ) (dσ00/dωt), (2π/σ) (dσ20/dωt), (2π/σ) (dσ22+/dωt), and (2π/σ) (dσ21−/dωt) which are usually sensitive to many photoinitiated bimolecular reaction experiments are presented. Furthermore, the distribution of dihedral angle P(φr) and the distribution of angle between K and J′ P(θr) are discussed. Moreover, the angular distribution of product rotational vectors in the form of polar plots in θr and φr is calculated. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476522
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  • 5
    Electronic Resource
    Electronic Resource
    Model concrete beam-column joints subjected to cyclic loading at two rates (1987)
    Springer
    Materials and structures 20 (1987), S. 85-95 
    Details
    ISSN: 1359-5997
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract Small-scale models of reinforced concrete beam-column joint were subjected to large cyclic displacements at two rates: 2.5×10−3 and 1.0 Hz. To assess damage, free-vibration tests were conducted. The reliability of the modelling techniques was established by comparison of the results for the slower rate with those obtained from the full-scale tests on prototype. The higher rate of loading caused a greater damage than that at the lower rate. This was evidenced by the measurements of the energy absorbed in the hysteresis loops, equivalent damping, and the stiffness and damping obtained from the free-vibration test. The relatively greater extent of damage appears to result from the different bond behaviour at different rates of loading.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02472743
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  • 6
    Electronic Resource
    Electronic Resource
    Proposed healing and consolidation mechanisms of rock salt revealed by ESEM (1993)
    New York, NY [u.a.] : Wiley-Blackwell
    Microscopy Research and Technique 25 (1993), S. 456-464 
    Details
    ISSN: 1059-910X
    Keywords: Crushed rock salt ; ESEM ; Deformation ; Healing mechanism ; Consolidation mechanism ; Life and Medical Sciences ; Cell & Developmental Biology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Natural Sciences in General
    Notes: The grain boundary healing behavior of crushed rock salt was mainly studied by employing the environmental scanning electron microscope (ESEM) to study the consolidation mechanism of rock salt backfill. Dedicated miniature round rock salt specimens were prepared for observation of the water trapping effect by using a cold stage in the ESEM to reach saturation conditions. Comparable high pressure pellets were prepared for measuring the crystal growth. Consolidation tests using materials made at different pressures and containing different moisture levels were conducted in order to construct the proposed mechanism. Direct observation of specimens in the ESEM resulted in viewing water trapped on the surface and the formation of a water meniscus between two particles. The concentration of brine at the grain boundary was observed as contributing to the amount of recrystallization. From aforementioned observations, a schematic drawing of the dissolution and recrystallization process may be redrawn. The amount of water therefore has a great effect on the consolidation of rock salt and is possibly due to the sliding, rotation, or crushing of the contact zone of the granular material. From such a study, tentative healing and consolidation mechanisms can be deduced. © 1993 Wiley-Liss, Inc.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jemt.1070250517
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