Related references
Note: Only part of the references are listed.The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights
Jingjing Zheng et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Screened hybrid density functionals for solid-state chemistry and physics
Benjamin G. Janesko et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Interaction of dioxygen with Al clusters and Al(111): A comparative theoretical study
C. Mosch et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies
A. Stroppa et al.
NEW JOURNAL OF PHYSICS (2008)
Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111)
Christian Carbogno et al.
PHYSICAL REVIEW LETTERS (2008)
Frontiers in surface scattering simulations
Geert-Jan Kroes
SCIENCE (2008)
Quantum dynamics of chemical reactions
David C. Clary
SCIENCE (2008)
Supersonic molecular beam studies of dissociative adsorption of H2 on Ru(0001)
I. M. N. Groot et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Hydrogen dissociation dynamics on precovered Pd surfaces: Langmuir is still right
Axel Gross et al.
PHYSICAL REVIEW LETTERS (2007)
Methane dissociation on Ni(111): The role of lattice reconstruction
Sven Nave et al.
PHYSICAL REVIEW LETTERS (2007)
Vibrational relaxation of NO on Au(111) via electron-hole pair generation
Neil Shenvi et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Reactive and nonreactive scattering of H2 from a metal surface is electronically adiabatic
P Nieto et al.
SCIENCE (2006)
How adiabatic is activated adsorption/associative desorption?
AC Luntz et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Six-dimensional dynamics of dissociative chemisorption of H2 on metal surfaces
GJ Kroes et al.
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2005)
Ammonia synthesis from first-principles calculations
K Honkala et al.
SCIENCE (2005)
Reactive scattering of H2 from Cu(100):: Six-dimensional quantum dynamics results for reaction and scattering obtained with a new, accurately fitted potential-energy surface
MF Somers et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born-Oppenheimer approximation for surface chemistry?
AM Wodtke et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2004)
Quantum Monte Carlo calculations of H2 dissociation on Si(001) -: art. no. 166102
C Filippi et al.
PHYSICAL REVIEW LETTERS (2002)
Six-dimensional quantum dynamics of scattering of (v=0,j=0) H2 and D2 from Cu(111):: test of two LEPS potential energy surfaces
MF Somers et al.
CHEMICAL PHYSICS LETTERS (2002)
State-to-state scattering in a reactive system:: H2(v=1,J=1) from Cu(100)
E Watts et al.
JOURNAL OF CHEMICAL PHYSICS (2001)