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The Journal of Physical Chemistry Letters|May 16, 2019
Orbital-Dependent Electronic Friction Significantly Affects the Description of Reactive Scattering of N2 from Ru(0001)Paul Spiering, Khosrow Shakouri, Jörg Behler, et al.The Journal of Physical Chemistry. A|June 15, 2013
Thermal lattice expansion effect on reactive scattering of H2 from Cu(111) at T(s) = 925 KArobendo Mondal, Mark Wijzenbroek, Matteo Bonfanti, et al.The Journal of Chemical Physics|April 1, 2019
Transferability of the SRP32-vdW specific reaction parameter functional to CHD3 dissociation on Pt(110)-(2 × 1)Helen Chadwick, Ana Gutiérrez-González, Rainer D Beck, et al.The Journal of Physical Chemistry. B|July 21, 2006
Orbital-free density functional theory applied to NaAlH4Terry J Frankcombe, Geert-Jan Kroes, Nicholas I Choly, et al.Journal of Chemical Theory and Computation|May 18, 2017
Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H2 + Cu(111)Katharina Doblhoff-Dier, Jörg Meyer, Philip E Hoggan, et al.The Journal of Chemical Physics|February 18, 2006
Molecular-dynamics study of photodissociation of water in crystalline and amorphous icesStefan Andersson, Ayman Al-Halabi, Geert-Jan Kroes, et al.Physical Chemistry Chemical Physics : PCCP|May 19, 2012
Chebyshev high-dimensional model representation (Chebyshev-HDMR) potentials: application to reactive scattering of H2 from Pt(111) and Cu(111) surfacesPhillip S Thomas, Mark F Somers, Anne W Hoekstra, et al.Proceedings of the National Academy of Sciences of the United States of America|November 17, 2010
Apparent failure of the Born-Oppenheimer static surface model for vibrational excitation of molecular hydrogen on copperGeert-Jan Kroes, Cristina Díaz, Ernst Pijper, et al.Accounts of Chemical Research|March 20, 2002
Quantum theory of dissociative chemisorption on metal surfacesGeert-Jan Kroes, Axel Gross, Evert-Jan Baerends, et al.The Journal of Chemical Physics|June 25, 2005
Six-dimensional quantum dynamics of (v=0,j=0)D2 and of (v=1,j=0)H2 scattering from Cu111Sven Nave, Didier Lemoine, Mark F Somers, et al.Pageof 8