Interaction of hydrogen with the Ag(111) surface
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journal
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March 1995 |
Comments on heterogeneous methanation: Absence of H2$z.sbnd;D2 kinetic isotope effect on Ni, Ru, and Pt
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journal
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October 1979 |
Interaction of Hydrogen with a Cobalt(0001) Surface
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journal
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June 2013 |
Dissociative adsorption of hydrogen on Cu(100) at low temperatures
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journal
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May 1993 |
Projector augmented-wave method
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journal
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December 1994 |
Heterogeneous methanation: Absence of H2$z.sbnd;D2 kinetic isotope effect on Ni, Ru and Pt
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journal
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September 1977 |
Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals
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journal
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February 2013 |
Overtones of H vibrations at Ni(111): Formation of delocalized states
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journal
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May 2001 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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journal
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January 1999 |
Adsorption position of deuterium on the Pd(100) surface determined with transmission channeling
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journal
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January 1987 |
Atomic and molecular adsorption on Pd(111)
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journal
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November 2012 |
Observation of β -C−H Bond Activation of Allyl Groups Adsorbed on Ag(111) and an Unusual Deuterium Isotope Effect
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journal
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November 2000 |
A study of the adsorption sites of hydrogen on Ru(001) at saturation coverage by electron reflection
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journal
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February 1987 |
Hydrogen adsorption on Ru(001) surface from density-functional periodic calculations
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journal
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August 2005 |
Hydrogen-induced restructuring of close-packed metal surfaces: H/Ni(111) and H/Fe(110)
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journal
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June 1993 |
First-principles study of the adsorption of atomic H on Ni (111), (100) and (110)
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journal
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July 2000 |
Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study
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journal
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April 2012 |
Hydrogen on Ru(001) revisited: vibrational structure, adsorption states, and lateral coupling
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journal
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July 2004 |
Significant Quantum Effects in Hydrogen Activation
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journal
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April 2014 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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journal
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December 2000 |
Adsorption and desorption dynamics of H2 and D2 on Cu(111): The role of surface temperature and evidence for corrugation of the dissociation barrier
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journal
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March 1998 |
Adsorption energies and ordered structures of hydrogen on Pd(111) from density-functional periodic calculations
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journal
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October 1998 |
Dipole correction for surface supercell calculations
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journal
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May 1999 |
Reactivity of Transition Metals (Pd, Pt, Cu, Ag, Au) toward Molecular Hydrogen Dissociation: Extended Surfaces versus Particles Supported on TiC(001) or Small Is Not Always Better and Large Is Not Always Bad
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journal
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May 2011 |
Hydrogenation and hydrogen-deuterium exchange reactions of C3-C6 substituted alkenes on iron(100)
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journal
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May 1991 |
Adsorption and diffusion energetics of hydrogen atoms on Fe(110) from first principles
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journal
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December 2003 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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journal
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April 2010 |
Dissociative chemisorption of hydrogen on Ir(111): Evidence for terminal site adsorption
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journal
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November 1999 |
Adsorption-Site Location by Transmission Channeling: Deuterium on Ni(100)
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journal
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February 1985 |
Vibrationally assisted sticking, tunneling and isotope effect for hydrogen on Cu surfaces
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journal
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April 1991 |
Thiophene hydrodesulfurization catalysis on supported Ru clusters: Mechanism and site requirements for hydrogenation and desulfurization pathways
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journal
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July 2010 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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journal
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July 1996 |
Adsorption of hydrogen and deuterium on Ru(001)
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journal
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December 1984 |
High-resolution electron energy loss spectroscopy study on chemisorption of hydrogen on Cu()
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journal
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February 2002 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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journal
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October 1996 |
First-principles thermodynamic description of hydrogen electroadsorption on the Pt(111) surface
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journal
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July 2014 |
Atomic and Molecular Adsorption on Ir(111)
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journal
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January 2004 |
Jacob’s Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface Properties
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journal
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December 2017 |
Adsorption and diffusion of hydrogen on Pd(211) and Pd(111): Results from first-principles electronic structure calculations
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journal
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April 2007 |
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
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journal
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September 2007 |
Coverage-dependent hydrogen adsorption site determination on by high-resolution core-level spectroscopy
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journal
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September 2004 |
Deuterium tracing studies and microkinetic analysis of ethylene hydrogenation over platinum
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journal
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September 1992 |
A first-principles potential energy surface and vibrational states for hydrogen on Cu(100)
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journal
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October 2004 |
Isotopic and kinetic assessment of the mechanism of methane reforming and decomposition reactions on supported iridium catalysts
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journal
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January 2004 |
Hindered Translator and Hindered Rotor Models for Adsorbates: Partition Functions and Entropies
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journal
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April 2016 |
High-Dimensional Quantum Dynamics of Adsorption and Desorption of at Cu(111)
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journal
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December 1994 |
Energetics and Vibrational States for Hydrogen on Pt(111)
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journal
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March 2002 |
Ab Initio Study of CO Hydrogenation to Oxygenates on Reduced Rh Terraces and Stepped Surfaces
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journal
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May 2010 |
Quantitative determination of hydrogen adsorption site on the Pt(111)-(1×1) surface by low energy ion channeling
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journal
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July 1999 |
Location of hydrogen on Ni(110)(110) and Ni(111) crystal surfaces by surface channeling
|
journal
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March 1984 |
Effect of Subsurface Oxygen on the Reactivity of the Ag(111) Surface
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journal
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September 2005 |
Quantum delocalization of hydrogen on metal surfaces
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journal
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June 2005 |
Reply to comments on heterogeneous methanation: Absence of H2$z.sbnd;D2 kinetic isotope effect on Ni, Ru, and Pt
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journal
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October 1979 |
Hydrogen-Induced Reconstruction of Cu(100): Two-Dimensional and One-Dimensional Structures of Surface Hydride
|
journal
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July 2014 |
Endothermic dissociative chemisorption of molecular D2 on Ag(111)
|
journal
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September 1995 |
Comparison of hydrogen and deuterium adsorption on Pd(100)
|
journal
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January 2010 |
Direct Observation of the Quantum Tunneling of Single Hydrogen Atoms with a Scanning Tunneling Microscope
|
journal
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November 2000 |
Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals
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journal
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August 2014 |
146. The deuteration and exchange of ethylene on evaporated metal catalysts at low temperatures
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journal
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January 1956 |
Exchange reactions of hydrogen on metallic catalysts
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journal
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January 1934 |
Deuterium-induced restructuring of Cu(100)
|
journal
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December 1993 |
Kinetically Relevant Steps and H 2 /D 2 Isotope Effects in Fischer−Tropsch Synthesis on Fe and Co Catalysts
|
journal
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October 2010 |
Adsorption and diffusion on a stepped surface: Atomic hydrogen on Pt(211)
|
journal
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June 2004 |
First-principles study of H adsorption on and absorption in Cu(111) surface
|
journal
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January 2006 |
Evidence of quantum motion of hydrogen on Pd(111) in helium-diffraction data
|
journal
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June 1991 |
Quantum Theory of Dissociative Chemisorption on Metal Surfaces
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journal
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March 2002 |
Systematic DFT-GGA study of hydrogen adsorption on transition metals
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journal
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December 2011 |
Vibrational spectra of hydrogen on the Rh(111) surface
|
journal
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November 1999 |
Location of hydrogen adsorbed on Rh(111) studied by low-energy electron diffraction and nuclear reaction analysis
|
journal
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June 2007 |
Adsorption trends for water, hydroxyl, oxygen, and hydrogen on transition-metal and platinum-skin surfaces
|
journal
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October 2006 |
Hydrogen and Deuterium Exchange on Pt(111) and Its Poisoning by Carbon Monoxide Studied by Surface Sensitive High-Pressure Techniques
|
journal
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October 2006 |
Theoretical analysis of hydrogen chemisorption on Pd(111), Re(0001) and pseudomorphic overlayers
|
journal
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August 1999 |
Special points for Brillouin-zone integrations
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journal
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June 1976 |
HREELS characterization of hydrogen adsorption states on the Pt(100)-(hex) and (1×1) surfaces
|
journal
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February 1997 |
Unusual adsorption site of hydrogen on the unreconstructed Ir(100) surface
|
journal
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February 2006 |
Kinetic hydrogen isotope effects in ethylene oxidation on silver catalysts
|
journal
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February 2008 |
Adsorption position of deuterium on the Pt(111) surface determined with transmission channeling
|
journal
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April 1989 |
The influence of potential energy surface topologies on the dissociation of H 2
|
journal
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August 1990 |
Effect of hydrogen on the surface relaxation of Pd(100), Rh(100), and Ag(100)
|
journal
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November 2005 |
Adsorbate Entropies with Complete Potential Energy Sampling in Microkinetic Modeling
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journal
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March 2017 |
Identification of new adsorption sites of H and D on rhodium(100)
|
journal
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September 2003 |
Accurate and simple analytic representation of the electron-gas correlation energy
|
journal
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June 1992 |
Ligand Effect in Hydrogen Adsorption on Epitaxial Nickel Films
|
journal
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January 2009 |
An Investigation of the Effects of Water on Rate and Selectivity for the Fischer–Tropsch Synthesis on Cobalt-Based Catalysts
|
journal
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October 2002 |
On the Interpretation of Deuterium Kinetic Isotope Effects in CH Bond Functionalizations by Transition-Metal Complexes
|
journal
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March 2012 |
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
|
journal
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December 1992 |
Surface and Subsurface Hydrogen: Adsorption Properties on Transition Metals and Near-Surface Alloys
|
journal
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March 2005 |
Density functional calculations of hydrogen adsorption on palladium–silver alloy surfaces
|
journal
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February 2003 |
Delocalized quantum nature of hydrogen adsorbed on the Rh(111) crystal surface
|
journal
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November 1986 |
Atomic and molecular adsorption on Pt(111)
|
journal
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August 2005 |
Chemisorption and diffusion of hydrogen on surface and subsurface sites of flat and stepped nickel surfaces
|
journal
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May 2005 |
Influence of the Cobalt Particle Size in the CO Hydrogenation Reaction Studied by In Situ X-Ray Absorption Spectroscopy
|
journal
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August 2009 |
The Renaissance of H/D Exchange
|
journal
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October 2007 |
Trends in the chemical reactivity of surfaces studied by ab initio quantum-dynamics calculations
|
journal
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May 1999 |
Mechanistic aspects of transition metal-catalyzed hydrogen transfer reactions
|
journal
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January 2006 |
Beyond transition-state theory: a rigorous quantum theory of chemical reaction rates
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journal
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April 1993 |
Location of hydrogen adsorbed on palladium (111) studied by low-energy electron diffraction
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journal
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July 1989 |