We present quantum mechanical close-coupling calculations of collisions between two hydrogen molecules over a wide range of energies, extending from the ultracold limit to the superthermal region. The two most recently published potential energy surfaces for the H(2)-H(2) complex, the so-called Diep-Johnson (DJ) [J. Chem. Phys. 112, 4465 (2000); 113, 3480 (2000)] and Boothroyd-Martin-Keogh-Pete...

0022-2852/$ see front matter 2010 Elsevier Inc. A doi:10.1016/j.jms.2010.09.005 ⇑ Corresponding author at: Department of Chem University of Arizona, 933 N. Cherry Ave., Tucson, AZ 5554. E-mail address: [email protected] (L.M. Ziury 1 Present address: National Radio Astronomy Obs Charlottesville, VA 22903, USA. The pure rotational spectrum of TiS in its XDr ground state has been measured us...

High resolution spectra of the B2E-X2A1 transitions of CaBH4 and SrBH4 have been recorded using laser excitation spectroscopy in a laser ablation/molecular jet source. Because of rotational cooling in the molecular jet and nuclear spin statistics, transitions arising from only the K'=1<--K"=0, K'=2<--K"=1, and K'=0<--K"=1 subbands have been observed. For each molecule, an analysis of the data u...

The stereodynamics of the Ar þ NO ( j1⁄4 0) rotational inelastic excitation has been investigated at 66 meV by means of quasiclassical trajectories on a recent ab initio potential energy surface. A marked correlation between the preferred sense of rotation of NO and the scattering plane is obtained for the highest rotational levels accessible, which are excited in strong repulsive collisions. T...

Vibrationally state-resolved differential cross sections DCS and product rotational distributions have been measured for the Cl HD(v 1, J 1)→HCl DCl D H reaction at a mean collision energy of 0.065 eV using a photoinitiated reaction ‘‘photoloc’’ technique. The effect of HD reagent rotational alignment in the Cl HD(v 1, J 2) reaction has also been investigated. The experimental results have been...

We present a new four-dimensional (4D) potential energy surface for the HCl-H2 van der Waals system. Both molecules were treated as rigid rotors. Potential energy surface was obtained from electronic structure calculations using a coupled cluster with single, double, and perturbative triple excitations method. The four atoms were described using the augmented correlation-consistent quadruple ze...

Quantum-mechanical close-coupling calculations for state-to-state cross sections and thermal rates are reported for H2+H2 collisions. Two recently developed potential energy surfaces (PES) for the H2−H2 system are applied, namely, the global potential surface from the work of A.I. Boothroyd, P.G. Martin, W.J. Keogh, M.J. Peterson, J. Chem. Phys., 116 (2002) 666, and a restricted, model surface ...

We introduce an innovative design of a disk triboelectric nanogenerator (TENG) with segmental structures for harvesting rotational mechanical energy. Based on a cyclic in-plane charge separation between the segments that have distinct triboelectric polarities, the disk TENG generates electricity with unique characteristics, which have been studied by conjunction of experimental results with fin...

Department of Physics and Astronomy. Louisiana State University, Baton RougeL, ouisiana 70803 Center for Advanced hficrostructures and Devices, Louisiana State University. Baton Rouge, Louisiana 70803 Department of Chemistry. Louisiana State University. Baton Rouge, Louisiana 70803 Arthur Amos Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 9l l25 ...