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Works of Thorsten Klüner being referenced
New mechanistic insight into electronically excited CO–NiO(100): a quantum dynamical analysis
2008
Photo-induced desorption of NO from NiO(100): calculation of the four-dimensional potential energy surfaces and systematic wave packet studies
2005
Silver residues as a possible key to a remarkable oxidative catalytic activity of nanoporous gold
2011
Three-DimensionalAb InitioQuantum Dynamics of the Photodesorption of CO fromCr 2 O 3 ( 0001 )
2001
Determination of Atomic Structure of the Metal-Oxide Interface: Pd Nanodeposits on an FeO(111) Film
2003
A self-consistent density based embedding scheme applied to the adsorption of CO on Pd(111)
2007
Universal Phenomena of CO Adsorption on Gold Surfaces with Low-Coordinated Sites
2006
Understanding surface photochemistry from first principles: The case of CO–TiO2(1 1 0)
2011
The role of the initial population of molecular vibrations in surface photochemistry
1998
Chemisorbed Oxygen on the Au(321) Surface Alloyed with Silver: A First-Principles Investigation
2015
CO adsorption and thermal stability of Pd deposited on a thin FeO(111) film
2005
Promoting O2 activation on noble metal surfaces
2008
Klüneret al.Reply:
2002
The vibrational excitation of NO desorbing from NiO(100) after UV laser irradiation: is NO− a possible intermediate species?
1998
Periodic density functional embedding theory for complete active space self-consistent field and configuration interaction calculations: Ground and excited states
2002
CO oxidation by co-adsorbed atomic O on the Au(321) surface with Ag impurities: A mechanistic study from first-principles calculations
2011
Laser induced desorption of NO from NiO(100): Characterization of potential energy surfaces of excited states
1997
Formation of hybrid ABX3perovskite compounds for solar cell application: first-principles calculations of effective ionic radii and determination of tolerance factors
2017
Rovibrational preexcitation in the photodesorption of CO from Cr2O3
2002
Theoretical Investigation of Laser Induced Desorption of Small Molecules from Oxide Surfaces: A First Principles Study
1998
The role of laser pulse duration in the photodesorption of NO/NiO(1 0 0)
2006
Excitation spectra and ground-state properties from density-functional theory for the inverted band-structure systemsβ
2002
Bonding of NH3, CO, and NO to NiO and Ni-doped MgO: a problem for density functional theory
2004
Rotational alignment in the photodesorption of CO from Cr2O3(0001): A systematic three-dimensional ab initio study
2002
Metabolism of EDTA and its metal chelates by whole cells and cell-free extracts of strain BNC1
1998
Prediction of Electronic Excited States of Adsorbates on Metal Surfaces from First Principles
2001
Understanding of Adsorption and Catalytic Properties of Bimetallic Pt−Co Alloy Surfaces from First Principles: Insight from Disordered Alloy Surfaces
2010
Laser-induced desorption of NO from NiO(100): Ab initio calculations of potential surfaces for intermediate excited states
1996
Interpreting intensities in vibrational sum frequency generation (SFG) spectroscopy: CO adsorption on Pd surfaces
2005
Bonding of CO and NO to NiO(100): a Strategy for Obtaining Accurate Adsorption Energies
2007
Three-Dimensional Ab Initio Quantum Dynamics of the Photodesorption of CO from Cr2O3(0001)
2001
Two-dimensional surrogate Hamiltonian investigation of laser-induced desorption of NO∕NiO(100)
2006