Publications with the keyword "isotopes"

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P. Scuracchio, A. Dobry, S. Costamagna, and F. Peeters
Tuning the polarized quantum phonon transmission in graphene nanoribbons
Nanotechnology (cited By 5), 26(30), 2015
boundary conditions graphene heat transfer isotopes phonons tuning antidot structures fixed boundary conditions force constant models graphene nanoribbons non-equilibrium green's function formalism phonon transmissions relative distances transmission function nanoribbons
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B. Gervais, E. Giglio, L. Adoui, A. Cassimi, D. Duflot, and M. Galassi
The H2 O2+ potential energy surfaces dissociating into H+ / OH+: Theoretical analysis of the isotopic effect
Journal of Chemical Physics (cited By 17), 131(2), 2009
ab initio angular momentum distribution bending angle bond breakage dication dissociation channels dissociation dynamics franck-condon transitions initial conditions isotopic effects isotopic ratios kinetic energy release multireference configuration interaction methods water molecule angular distribution dissociation isotopes potential energy surfaces quantum chemistry sulfur compounds surface phenomena potential energy
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C. Ramírez and H. Busnengo
Comparative dynamical study of the HD and H2 isotopomers interacting with Pd(1 1 1) and Cu(1 1 0) surfaces
Surface Science (cited By 4), 603(21), 3171-3178, 2009
adsorption probabilities classical trajectories cu(1 0 0) cu(1 1 0) density functional theory calculations dissociative adsorption experimental values impact energy isotopic effects isotopomers mass distribution pd(1 1 1) rotational energy distribution rotational excitation rotational temperature scattering process translational energy zero-point energies adsorption density functional theory isotopes molecular dynamics molecules palladium potential energy potential energy surfaces quantum chemistry probability
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P. Macri, J. Miraglia, J. Hanssen, O. Fojón, and R. Rivarola
Evidence of two-channel distortion effects in positronium formation reactions
Journal of Physics B: Atomic, Molecular and Optical Physics (cited By 10), 37(6), L111-L119, 2004
impact energy positroniums wavefunctions approximation theory charge transfer continuum mechanics electrodynamics electrons ground state isotopes protons quantum theory high energy physics
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C. Díaz, H. Busnengo, F. Martin, and A. Salin
Angular distribution of H2 molecules scattered from the Pd(111) surface
Journal of Chemical Physics (cited By 28), 118(6), 2886-2892, 2003
atomic physics calculations electron energy levels hydrogen hydrogen bonds isotopes molecular vibrations palladium probability quantum theory surface structure angular distribution atom scattering molecular rotation molecular scattering molecular dynamics
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S. Koval, J. Kohanoff, R. Migoni, and E. Tosatti
Ferroelectricity and Isotope Effects in Hydrogen-Bonded KDP Crystals
Physical Review Letters (cited By 97), 89(18), 2002
composition effects crystals electron tunneling ferroelectricity hydrogen bonds isotopes mathematical models probability density function protons quantum theory deuteration isotope effects lattice expansion nuclear quantum effects potassium dihydrogen phosphate proton probability density potassium compounds
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S. Koval, J. Kohanoff, and R. Migoni
On the relevance of tunneling for the isotope effect in KDP
Ferroelectrics (cited By 5), 268, 239-244, 2002
electric charge electron tunneling ferroelectricity hydrogen bonds isotopes oxygen polarization protons acceptors ferroelectric first-principles calculations kh 2 po 4 (kdp) potassium compounds
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