Citation Impact

Citing Papers

Universal fragment descriptors for predicting properties of inorganic crystals
2017
Modelling nano-clusters and nucleation
2009
Theoretical Chemistry of Gold
2004 Standout
The Stability of Gold Iodides in the Gas Phase and the Solid State
2001
An Alkaline Earth I3O0 Porous Coordination Polymer: [Ba2TMA(NO3)(DMF)]
2012 StandoutNobel
Competition between heavy fermion and Kondo interaction in isoelectronic A-site-ordered perovskites
2014 StandoutNobel
Real-space observation of a two-dimensional skyrmion crystal
2010 StandoutNature
Machine learning for molecular and materials science
2018 StandoutNature
In‐Situ Monitoring of the Formation of Crystalline Solids
2011
The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code
2004
Van der Waals Density Functional for General Geometries
2004 Standout
Chemical diversity in a metal–organic framework revealed by fluorescence lifetime imaging
2018 StandoutNobel
Density functional theory for transition metals and transition metal chemistry
2009
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
2008 Standout
Local Polar Fluctuations in Lead Halide Perovskite Crystals
2017 StandoutNobel
Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system
2015 StandoutNature
Metal–Organic Frameworks from Edible Natural Products
2010 StandoutNobel
Relativistic effects in homogeneous gold catalysis
2007 StandoutNature
Constructing magnetic molecular solids by employing three-atom ligands as bridges
2007
Chiral Molecular Magnets: Synthesis, Structure, and Magnetic Behavior of the Series [M(L‐tart)] (M = MnII, FeII, CoII, NiII; L‐tart = (2R,3R)‐(+)‐tartrate)
2006
Towards an exact description of electronic wavefunctions in real solids
2012 Nature
Definitive Molecular Level Characterization of Defects in UiO‐66 Crystals
2015 StandoutNobel
Terahertz-field-induced insulator-to-metal transition in vanadium dioxide metamaterial
2012 StandoutNature
Introduction to Metal–Organic Frameworks
2012 StandoutNobel
Linking Local Environments and Hyperfine Shifts: A Combined Experimental and Theoretical31P and7Li Solid-State NMR Study of Paramagnetic Fe(III) Phosphates
2010
Blue Light Emitting Defective Nanocrystals Composed of Earth‐Abundant Elements
2019 StandoutNobel
Theoretische Chemie des Golds
2004
CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
2005
Computational prediction of organic crystal structures and polymorphism
2008
Cu and Cu-Based Nanoparticles: Synthesis and Applications in Catalysis
2016 Standout
Electrolytes and Interphases in Li-Ion Batteries and Beyond
2014 Standout
Theoretical Studies on the Reductive Decompositions of Solvents and Additives for Lithium-Ion Batteries near Lithium Anodes
2006
Quantifying the dependence of dead lithium losses on the cycling period in lithium metal batteries
2014
Resolving the Structure of Ti3C2Tx MXenes through Multilevel Structural Modeling of the Atomic Pair Distribution Function
2015
Computer Simulation of Liquids
2017 Standout
Halide Perovskite Photovoltaics: Background, Status, and Future Prospects
2019 Standout
Fluorooxoborates: Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Materials without Layered Growth
2017 Standout
Electronic structures of lead iodide based low-dimensional crystals
2003
Magnetism in ordered metallic perovskite compound
2009
Toward Safe Lithium Metal Anode in Rechargeable Batteries: A Review
2017 Standout
Microscopic properties of lithium, sodium, and magnesium battery anode materials related to possible dendrite growth
2014
Glass Formation of a Coordination Polymer Crystal for Enhanced Proton Conductivity and Material Flexibility
2016 StandoutNobel
Electrodynamics of correlated electron materials
2011
Thermal relaxation of lithium dendrites
2015
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods
2020 StandoutNobel
Particulate Photocatalysts for Light-Driven Water Splitting: Mechanisms, Challenges, and Design Strategies
2019 Standout
Metal–Organic Frameworks for Water Harvesting from Air
2018 StandoutNobel
An efficient and near linear scaling pair natural orbital based local coupled cluster method
2013
Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets, [MnII(HL)(H2O)][MnIII(CN)6]·2H2O (L = S- or R-1,2-diaminopropane):  Syntheses, Structures, and Magnetic Behaviors
2006 StandoutNobel
Probing zeolites by vibrational spectroscopies
2015
Amphidynamic Character of Crystalline MOF-5:  Rotational Dynamics of Terephthalate Phenylenes in a Free-Volume, Sterically Unhindered Environment
2008 StandoutNobel
Single Crystals Heterogeneity Impacts the Intrinsic and Extrinsic Properties of Metal–Organic Frameworks
2021 StandoutNobel
Zum Verständnis von Festkörperstrukturen: von kubischen zu kettenförmigen Anordnungen in Halogeniden der Gruppe 11
2001
The aurophilic attraction as interpreted by local correlation methods
1999
Peroxide Electroreduction on Bi-Modified Au Surfaces:  Vibrational Spectroscopy and Density Functional Calculations
2003
Highly Active and Stable Single-Atom Cu Catalysts Supported by a Metal–Organic Framework
2019 StandoutNobel
Elucidating the impact of A-site cation change on photocatalytic H2 and O2 evolution activities of perovskite-type LnTaON2 (Ln = La and Pr)
2017
Density functional theory screening of gas-treatment strategies for stabilization of high energy-density lithium metal anodes
2015
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Heterogeneous Nucleation and Growth of Lithium Electrodeposits on Negative Electrodes
2013
Magnetic structure ofFe1−xCoxSiin a magnetic field studied via small-angle polarized neutron diffraction
2007
Structural, Electronic, and Vibrational Properties of the Ti−O−Ti Quantum Wires in the Titanosilicate ETS-10
2003
Tests of a ladder of density functionals for bulk solids and surfaces
2004
Structures of Metal–Organic Frameworks with Rod Secondary Building Units
2016 StandoutNobel
Realistic Cluster Modeling of Electron Transport and Trapping in Solvated TiO2 Nanoparticles
2012 StandoutNobel
Role of Dispersive Interactions in Determining Structural Properties of Organic–Inorganic Halide Perovskites: Insights from First-Principles Calculations
2014
Rechargeable Lithium–Sulfur Batteries
2014 Standout
Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study
2006
The world of two-dimensional carbides and nitrides (MXenes)
2021 StandoutScience
Spin-Transfer Pathways in Paramagnetic Lithium Transition-Metal Phosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopy and DFT Calculations
2012 StandoutNobel
High-Efficiency Perovskite Solar Cells
2020 Standout
Framework-structured weak ferromagnets
2011
Quasi-Relativistic Density Functional Study of Aurophilic Interactions
2004
Synthesis of Metal-Organic Frameworks (MOFs): Routes to Various MOF Topologies, Morphologies, and Composites
2011 Standout
Rational Tuning of Zirconium Metal–Organic Framework Membranes for Hydrogen Purification
2019 StandoutNobel
Defect physics ofCuGaS2
2010
Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals
2007
Strong Closed-Shell Interactions in Inorganic Chemistry
1997 Standout
Perspective: Crystal structure prediction at high pressures
2014
Spectroscopic and Theoretical Studies of Transition Metal Oxides and Dioxygen Complexes
2009
Engineering Metal Organic Frameworks for Heterogeneous Catalysis
2010 Standout
Gold-Catalyzed Organic Reactions
2007 Standout
Generation and Detection of Reactive Oxygen Species in Photocatalysis
2017 Standout
Advanced Nanoarchitectures for Solar Photocatalytic Applications
2011 Standout
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
Reactivity of Surface Species in Heterogeneous Catalysts Probed by In Situ X-ray Absorption Techniques
2013
Impact of Disordered Guest–Framework Interactions on the Crystallography of Metal–Organic Frameworks
2018 StandoutNobel
Carbon Dioxide Capture in Metal–Organic Frameworks
2011 Standout
Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory
2011 Standout
Chiral Three-Dimensional Microporous Nickel Aspartate with Extended Ni−O−Ni Bonding
2006
Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional
2004 Standout
Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design
2016 Standout

Works of K. Doll being referenced

Evidence for Itineracy in the Anticipated Kondo Insulator FeSi: A Quantitative Determination of the Band Renormalization
2008
Absence of Kondo resonance in high-resolution photoemission spectra of monocrystallineFe1−xCoxSi
2007
Correlation effects in ionic crystals: The cohesive energy of MgO
1995
Structure prediction based onab initiosimulated annealing for boron nitride
2008
DFT-based ab initio study of dielectric and optical properties of bulk Li2B3O4F3 and Li2B6O9F2
2013
The structural, electronic and vibrational properties of LiOH and NaOH: an ab initio study
2004
Closed-shell interaction in silver and gold chlorides
1998
Hydrogen Bond in Layered Materials:  Structural and Vibrational Properties of Kaolinite by a Periodic B3LYP Approach
2006
Ab InitioStudy of the Vibrational Spectrum and Related Properties of Crystalline Compounds; the Case of CaCO3Calcite
2006
CO adsorption on the Cu(111) surface: A density functional study
2006
Ground-state properties of rutile: Electron-correlation effects
1998
Chlorine adsorption on the Cu(111) surface
2000
Ground-state properties of heavy alkali halides
1998
Weak ferromagnetism with very large canting in a chiral lattice:Fe(pyrimidine)2Cl2
2004
Analytical Hartree?Fock gradients with respect to the cell parameter for systems periodic in three dimensions
2004
Analytical Hartree-Fock gradients for periodic systems
2001
Predicting solid compounds via global exploration of the energy landscape of solids on theab initiolevel without recourse to experimental information
2009
A density functional study of lithium bulk and surfaces
1999
CO adsorption on the Pt(111) surface: a comparison of a gradient corrected functional and a hybrid functional
2004
Density functional study of the adsorption of K on the Cu(111) surface
2001
Quantum chemical approach to cohesive properties of NiO
1997
Approaching the bulk limit with finite cluster calculations using local increments: The case of LiH
2012
Ti-chabazite as a model system of Ti(IV) in Ti-zeolites: A periodic approach
2003
DFT-basedab initiostudy of structural and electronic properties of lithium fluorooxoborate LiB6O9F and experimentally observed second harmonic generation
2011
Ab Initio Investigation of Structure and Cohesive Energy of Crystalline Urea
2006
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