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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
    Photodissociation of bromobenzene at 266 nm (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 2922-2927 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The photodissociation of C6H5Br at 266 nm has been investigated on the universal crossed molecular beam machine, and time-of-flight spectra as well as the angular distribution of Br atom have been measured. Photofragment translational energy distribution P(Et) reveals that about 47% of the available energy is partitioned into translational energy. The anisotropy parameter β at this wavelength is −0.7±0.2. From P(Et) and β, we deduce that C6H5Br photodissociation is a fast process and the transition dipole moment is almost perpendicular to the C–Br bond. Ab initio calculations have been performed, and the calculated results show that the geometry of the first excited state of bromobenzene has changed apparently compared with that of the ground state. Two kinds of possible fast dissociation mechanism have also been proposed. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477935
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  • 3
    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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  • 4
    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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  • 5
    Electronic Resource
    Electronic Resource
    Effect of location of energy barrier on the product alignment of reaction A+BC (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 8699-8704 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The trajectory calculations of heavy heavy–light, light light–light, heavy light–light, and light heavy–light mass combination reactions on attractive and repulsive potential surfaces have been carried out to study the dependence of the product rotational alignment on collision energies. The calculated results for heavy heavy–light mass combination reaction are compared with the predictions from the constrained product orbital angular momentum model. The final rotational angular momentum was found to be perpendicularly polarized with respect to the reagents' relative velocity vector on either attractive or repulsive potential surface. There is similar behavior of the product rotational alignments as a function of collision energies for heavy heavy–light and heavy light–light reactions, i.e., the more anisotropic the distribution of the product rotational angular momentum vector is, the higher the collision energies are, whether the potential surface is attractive or repulsive. However, the calculations for light light–light mass combination reaction predict that the product rotational alignments depend strongly on collision energies for an attractive potential surface, but this behavior is not observed on the repulsive potential surface. For light heavy–light mass combination, the product rotational alignments hardly depend on collision energies on both potential surfaces. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.472651
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  • 6
    Electronic Resource
    Electronic Resource
    Exact three-dimensional quantum mechanical calculation of ozone photodissociation in the Hartley band (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 10651-10661 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Exact three-dimensional time-dependent wave packet calculation for ozone photodissociation in the Hartley band has been carried out for total angular momentum J=0. Fully converged absorption spectrum, autocorrelation function, and O2(a 1Δg) photofragment rovibrational state distributions over wide range of wavelengths are obtained using the Sheppard–Walker potential energy surface (PES). Excellent agreements as well as some deviations have been found in comparison to the various experimental results. From these successes and failings, the ways for further improving the PES have been suggested, and the dynamics has been discussed in some detail in conjunction with time-dependent pictures of the wave packet. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1374580
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  • 7
    Electronic Resource
    Electronic Resource
    Vibrational-state distributions of CaCl from the reactions of calcium atom with C2H6−nCln (n=2,3,4) (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 7865-7866 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462386
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  • 8
    Electronic Resource
    Electronic Resource
    Theory for determining alignment parameters of symmetric top molecule using (n+1) LIF (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 9429-9442 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Expressions used for extracting the population and alignment parameters of a symmetric top molecule from (n+1) laser-induced fluorescence (LIF) are derived by employing the tensor density matrix method. The molecular population and alignment are described by molecular state multipoles. The LIF intensity is a complex function of the initial molecular state multipoles, the dynamic factors, and the excitation-detection geometrical factors. The problem of how to extract the initial molecular state multipoles from (2+1)LIF, as an example, is discussed in detail. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1319648
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  • 9
    Electronic Resource
    Electronic Resource
    Delayed ionization from C70 by electron impact excitation (1994)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 12495-12500 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100099a009
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  • 10
    Electronic Resource
    Electronic Resource
    Time-Resolved IR Chemiluminescence from Reactive Collisions between Hydrogen Atoms and SO2 (1995)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 10086-10091 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100025a007
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