# Quantum dynamical stereochemistry of atom-diatom reactions

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In this paper we discuss the use of the total angular momentum representation in the close coupling-wave packet (CCWP-J) method for solving the time dependent SchrÃ¶dinger equation for inelastic, nonreactive gas phase atomâ€“diatom collisions. This enables the wave packet propagation for...

- Bose Condensate Drag in a System of Two Coupled Traps. Demin, M. V.; Lozovik, Yu. E.; Sharapov, V. A. // JETP Letters;8/10/2002, Vol. 76 Issue 3, p135
A system of two plane traps disposed one above the other and confined atomic Bose condensate is considered. The possibility of entraining atoms of one of the traps by the atoms of the other trap upon the rotation of the latter is studied. The average angular momentum induced by the rotation of...

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Electronic and optical properties of screw-vacancy Î³-In2Se3 were studied by using the first-principles calculations. We found that the dangling-bond bands appear around the valence-band top. These bands are characterized by the chirality, i.e., the fractional angular momentum, and produce...

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The tensor density matrix formalism is used to derive expressions for the circular and linear polarization of laser-induced fluorescence from molecules which have an anisotropic distribution in the spatial orientation of their ground state angular momentum components. The generalized anisotropic...

- Crossing the dividing surface of transition state theory. II. Recrossing times for the atomâ€“diatom interaction. Lorquet, J. C. // Journal of Chemical Physics;4/7/2014, Vol. 140 Issue 13, p134304-1
We consider a triatomic system with zero total angular momentum and demonstrate that, no matter how complicated the anharmonic part of the potential energy function, classical dynamics in the vicinity of a saddle point is constrained by symmetry properties. At short times and at not too high...

- Two-Photon Bremsstrahlung Processes in Atoms: Polarization Effects and Analytic Results for Coulomb Potential. Krylovetskiı, A. A.; Manakov, N. L.; Marmo, S. I.; Starace, A. F. // Journal of Experimental & Theoretical Physics;Dec2002, Vol. 95 Issue 6, p1006
The partial wave analysis of two-photon freeâ€“free (bremsstrahlung) electron transition cross sections during scattering by a static potential U(r), as well as by an atom with a nonzero angular momentum, is carried out. The dipole interaction with radiation is taken into account in the...

- Preferential in-plane rotational excitation of H2O (001) by translational-to-vibrational transfer from 2.2 eV H atoms. Lovejoy, Christopher M.; Goldfarb, Leah; Leone, Stephen R. // Journal of Chemical Physics;5/1/1992, Vol. 96 Issue 9, p7180
The translational-to-vibrational and rotational (T-V,R) excitation of H2O with 2.2 eV hydrogen atoms is studied by time-resolved Fourier-transform infrared spectroscopy. Up to 2900 cm-1 of rotational excitation is observed in (001), with a strong preference for in-plane rather than out-of-plane...

- Nonadiabatic transitions between lambda-doubling states in the capture of a diatomic molecule by an ion. Auzinsh, M.; Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Troe, J. // Journal of Chemical Physics;5/14/2008, Vol. 128 Issue 18, p184304
The low-energy capture of a dipolar diatomic molecule in an adiabatically isolated electronic state with a good quantum number Î© (Hundâ€™s coupling case a) by an ion occurs adiabatically with respect to rotational transitions of the diatom. However, the capture dynamics may be...

- A semiclassical treatment of the l-j correlation in atom-diatom collisions. Aldegunde, J.; González-Sánchez, L.; Jambrina, P. G.; Sáez-Rábanos, V.; Aoiz, F. J. // Journal of Chemical Physics;2015, Vol. 143 Issue 6, p1
The explicit consideration of the vector correlations is an essential step when it comes to determining the mechanism of chemical reactions. Usual vector correlations involve initial and final relative velocity vectors and rotational angular momenta. However, the correlation between the orbital,...