Citation Impact
Citing Papers
Technical note: The libRadtran software package for radiative transfer calculations - description and examples of use
2005
QM/MM Methods for Biomolecular Systems
2009 Standout
Expression of Uroporphyrinogen Decarboxylase or Coproporphyrinogen Oxidase Antisense RNA in Tobacco Induces Pathogen Defense Responses Conferring Increased Resistance to Tobacco Mosaic Virus
1999
Oxidative stress, antioxidants and stress tolerance
2002 Standout
Catalase is a sink for H2O2 and is indispensable for stress defence in C3 plants
1997
Biological dosimetry of solar radiation for different simulated ozone column thicknesses
1996
Molecular Dynamics Simulation for All
2018 Standout
Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’, ‘regulating’, and ‘locking’ the catalytic HNH domain
2018 StandoutNobel
Ascorbate and Glutathione: The Heart of the Redox Hub
2011 Standout
Reactive oxygen species homeostasis and signalling during drought and salinity stresses
2009 Standout
Ethylene Biosynthesis and Signaling Networks
2002 Standout
Zirconium‐Metalloporphyrin PCN‐222: Mesoporous Metal–Organic Frameworks with Ultrahigh Stability as Biomimetic Catalysts
2012 Standout
Salt tolerance and salinity effects on plants: a review
2004 Standout
Reactive oxygen gene network of plants
2004 Standout
Plasmonic-metal nanostructures for efficient conversion of solar to chemical energy
2011 Standout
QM/MM studies of enzymes
2007
Catalase deficiency drastically affects gene expression induced by high light in Arabidopsis thaliana
2004
Multicomponent Density-Functional Theory for Electrons and Nuclei
2001
Ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulation of Enzyme Catalysis: The Case of Histone Lysine Methyltransferase SET7/9
2007
Quantitative exploration of the molecular origin of the activation of GTPase
2013 StandoutNobel
ASCORBATE AND GLUTATHIONE: Keeping Active Oxygen Under Control
1998 Standout
Accelerating QM/MM Free Energy Calculations: Representing the Surroundings by an Updated Mean Charge Distribution
2008 StandoutNobel
Transcriptional Down-Regulation by Abscisic Acid of Pathogenesis-Related β-1,3-Glucanase Genes in Tobacco Cell Cultures1
1998
Theoretical study of the UV-induced desorption of molecular oxygen from the reduced TiO2 (110) surface
2003
Electronic decoupling of a cyclophane from a metal surface
2010 StandoutNobel
2013
P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations
2009
The ONIOM Method and Its Applications
2015
Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration
2013
Characteristic Features of CO2 and CO Adsorptions to Paddle-Wheel-type Porous Coordination Polymer
2017 StandoutNobel
Reversible molecular switching at a metal surface: A case study of tetra-tert-butyl-azobenzene on Au(1 1 1)
2009
Ultraviolet-laser induced desorption of NO from the Cr2O3(0001) surface: Involvement of a precursor state?
1999
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
Chemical Dynamics at Metal Surfaces
2000
Electron-phonon interactions from first principles
2017 Standout
Interparticle Coupling Effect on the Surface Plasmon Resonance of Gold Nanoparticles: From Theory to Applications
2007 Standout
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
2015 Standout
Challenges for Density Functional Theory
2011 Standout
Molpro: a general‐purpose quantum chemistry program package
2011 Standout
OZONE AND PLANT HEALTH
1996
Significance of Inducible Defense-related Proteins in Infected Plants
2006 Standout
Paradynamics: An Effective and Reliable Model for Ab Initio QM/MM Free-Energy Calculations and Related Tasks
2011 StandoutNobel
Pyrolytic Depolymerization of Polyolefins Catalysed by Zirconium‐based UiO‐66 Metal–Organic Frameworks
2024 StandoutNobel
Band Bending in Semiconductors: Chemical and Physical Consequences at Surfaces and Interfaces
2012 Standout
Quantifying Free Energy Profiles of Proton Transfer Reactions in Solution and Proteins by Using a Diabatic FDFT Mapping
2008 StandoutNobel
Quantum Chemical Analyses of BH4− and BH3OH− Hydride Transfers to CO2 in Aqueous Solution with Potentials of Mean Force
2017
Reparameterization of PM6 Applied to Organic Diradical Molecules
2016
Ozone: An abiotic elicitor of plant defence reactions
1998
Efficiency and Accuracy of the Generalized Solvent Boundary Potential for Hybrid QM/MM Simulations: Implementation for Semiempirical Hamiltonians
2008
Free Energies of Chemical Reactions in Solution and in Enzymes with Ab Initio Quantum Mechanics/Molecular Mechanics Methods
2008
Are Current Semiempirical Methods Better Than Force Fields? A Study from the Thermodynamics Perspective
2009
Surface Science Studies of the Photoactivation of TiO2New Photochemical Processes
2006 Standout
Resistance ofBacillusEndospores to Extreme Terrestrial and Extraterrestrial Environments
2000 Standout
Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase
2008
QM/MM Minimum Free-Energy Path: Methodology and Application to Triosephosphate Isomerase
2007
Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde:Ab initioand free energy quantum mechanical/molecular mechanical calculations
2010
Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO2(110)
2013
Environmental Implications of Hydroxyl Radicals (•OH)
2015 Standout
REACTIVE OXYGEN SPECIES: Metabolism, Oxidative Stress, and Signal Transduction
2004 Standout
Electronic excitations: density-functional versus many-body Green’s-function approaches
2002 Standout
Well-Ordered Transition Metal Oxide Layers in Model Catalysis – A Series of Case Studies
2013
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies
2008 StandoutNobel
Hot-electron femtochemistry at surfaces: on the role of multiple electron processes in desorption
2000
Reactive Oxygen Species (ROS)-Based Nanomedicine
2019 Standout
Investigations of enzyme-catalysed reactions with combined quantum mechanics/molecular mechanics (QM/MM) methods
2010
Graphitic Carbon Nitride (g-C3N4)-Based Photocatalysts for Artificial Photosynthesis and Environmental Remediation: Are We a Step Closer To Achieving Sustainability?
2016 Standout
Genome-Wide Analysis of Hydrogen Peroxide-Regulated Gene Expression in Arabidopsis Reveals a High Light-Induced Transcriptional Cluster Involved in Anthocyanin Biosynthesis
2005
Hybrid treatment combining the translation- and rotation-free nuclear orbital plus molecular orbital theory with generator coordinate method: TRF-NOMO/GCM
2006 StandoutNobel
Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free-Energy Surfaces
2013 StandoutNobel
Ozone‐induced oxidative stress: Mechanisms of action and reaction
1997
The ONIOM method: its foundation and applications to metalloenzymes and photobiology
2011
Visible-light driven heterojunction photocatalysts for water splitting – a critical review
2015 Standout
Proton Transfer at Metal Sites in Proteins Studied by Quantum Mechanical Free-Energy Perturbations
2008
Prediction of Electronic Excited States of Adsorbates on Metal Surfaces from First Principles
2001
Exploring, Refining, and Validating the Paradynamics QM/MM Sampling
2012 StandoutNobel
Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels
2019 Standout
Interaction of NO with RuO2(110) Surface: A First Principles Study
2007 StandoutNobel
Transition‐Metal (Co, Ni, and Fe)‐Based Electrocatalysts for the Water Oxidation Reaction
2016 Standout
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
Sentinel-2: ESA's Optical High-Resolution Mission for GMES Operational Services
2012 Standout
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
2019 Standout
Review of solutions to global warming, air pollution, and energy security
2008 Standout
Nitrous acid (HONO): An emerging indoor pollutant
2015
Reactive oxygen species, abiotic stress and stress combination
2016 Standout
Proton-Coupled Electron Transfer
2012 Standout
First Half-Reaction Mechanism of Nitric Oxide Synthase: The Role of Proton and Oxygen Coupled Electron Transfer in the Reaction by Quantum Mechanics/Molecular Mechanics
2008
Works of Stephan Thiel being referenced
QM–MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians
2007
Three-DimensionalAb InitioQuantum Dynamics of the Photodesorption of CO fromCr 2 O 3 ( 0001 )
2001
Actinic flux determination from measurements of irradiance
2003
The role of the initial population of molecular vibrations in surface photochemistry
1998
The vibrational excitation of NO desorbing from NiO(100) after UV laser irradiation: is NO− a possible intermediate species?
1998
Intercomparison of spectral-UV-radiation measurement systems
1994
Ab initiocalculation of proton scattering from He(1s2s,1S): a first-principles wavepacket study beyond the Born-Oppenheimer approximation
1999
Laser-Induced Desorption of CO from Cr2O3 (0001): Ab Initio Calculation of the Four-Dimensional Potential Energy Surface for an Intermediate Excited State
2002
Rovibrational preexcitation in the photodesorption of CO from Cr2O3
2002
Exploiting QM/MM Capabilities in Geometry Optimization: A Microiterative Approach Using Electrostatic Embedding
2007
Measuring Spectral Actinic Flux and Irradiance: Experimental Results from the Actinic Flux Determination from Measurements of Irradiance (ADMIRA) Project
2002
Rotational alignment in the photodesorption of CO from Cr2O3(0001): A systematic three-dimensional ab initio study
2002
Ozone and Ultraviolet B Effects on the Defense-related Proteins ß-1,3-Glucanase and Chitinase in Tobacco
1996
QM/MM Free-Energy Perturbation Compared to Thermodynamic Integration and Umbrella Sampling: Application to an Enzymatic Reaction
2006
A Phytotron for Plant Stress Research: How Far Can Artificial Lighting Compare to Natural Sunlight?
1996
Three-Dimensional Ab Initio Quantum Dynamics of the Photodesorption of CO from Cr2O3(0001)
2001
Combined QM/MM Molecular Dynamics Study on a Condensed-Phase SN2 Reaction at Nitrogen: The Effect of Explicitly Including Solvent Polarization
2007