Citation Impact
Citing Papers
A Porous Crystalline Nitrone‐Linked Covalent Organic Framework**
2023 StandoutNobel
Carbon dioxide capture and efficient fixation in a dynamic porous coordination polymer
2019 StandoutNobel
Microenvironmental modulation breaks intrinsic pH limitations of nanozymes to boost their activities
2024 StandoutNobel
Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture
2023 StandoutNobel
Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
2011
Electron Sharing and Anion–π Recognition in Molecular Triangular Prisms
2013 StandoutNobel
The road to fully programmable protein catalysis
2022 StandoutNatureNobel
Current Status of the AMOEBA Polarizable Force Field
2010
Gate-tunable room-temperature ferromagnetism in two-dimensional Fe3GeTe2
2018 StandoutNature
Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases
2008
Gated Electron Sharing Within Dynamic Naphthalene Diimide‐Based Oligorotaxanes
2014 StandoutNobel
Effect of the damping function in dispersion corrected density functional theory
2011 Standout
Aggregation-induced emission
2011 Standout
Definitive Molecular Level Characterization of Defects in UiO‐66 Crystals
2015 StandoutNobel
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit Coupled-Cluster Potential Energy Curves for the Benzene Dimer, the Methane Dimer, Benzene−Methane, and Benzene−H2S
2009
Structure and Nanostructure in Ionic Liquids
2015 Standout
Computer Simulation of Liquids
2017 Standout
The leading role of cation–π interactions in polymer chemistry: the control of the helical sense in solution
2015
A Tripodal Molecule on a Gold Surface: Orientation-Dependent Coupling and Electronic Properties of the Molecular Legs
2013 StandoutNobel
How Different Are Aromatic π Interactions from Aliphatic π Interactions and Non-π Stacking Interactions?
2011
Defects Are Needed for Fast Photo-Induced Electron Transfer from a Nanocrystal to a Molecule: Time-Domain Ab Initio Analysis
2013
The ORCA program system
2011 Standout
Measurement of the ground-state distributions in bistable mechanically interlocked molecules using slow scan rate cyclic voltammetry
2011 StandoutNobel
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
2012 Standout
Controlled Electrochemical Intercalation of Graphene/h-BN van der Waals Heterostructures
2017 StandoutNobel
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: The CO2-benzene complex
2014
Challenges for Density Functional Theory
2011 Standout
Homologation of the Fischer Indolization: A Quinoline Synthesis via Homo‐Diaza‐Cope Rearrangement
2020 StandoutNobel
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods
2020 StandoutNobel
Pyrolytic Depolymerization of Polyolefins Catalysed by Zirconium‐based UiO‐66 Metal–Organic Frameworks
2024 StandoutNobel
Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme
2008
Folding of Oligoviologens Induced by Radical–Radical Interactions
2014 StandoutNobel
Density functional theory in surface chemistry and catalysis
2011 Standout
Aromatische Ringe in chemischer und biologischer Erkennung: Energien und Strukturen
2011
Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate Opening for Ethylene over Ethane
2017 StandoutNobel
Experimentally-Based Recommendations of Density Functionals for Predicting Properties in Mechanically Interlocked Molecules
2008 StandoutNobel
Probing Eudesmane Cation−π Interactions in Catalysis by Aristolochene Synthase with Non-canonical Amino Acids
2011
Host–Guest Interaction Modulation in Porous Coordination Polymers for Inverse Selective CO2/C2H2Separation
2021 StandoutNobel
Imperfections and their passivation in halide perovskite solar cells
2019 Standout
Ion‐Migration Inhibition by the Cation–π Interaction in Perovskite Materials for Efficient and Stable Perovskite Solar Cells
2018
Strong Light-Matter Interactions in Heterostructures of Atomically Thin Films
2013 StandoutScienceNobel
Supramolecular Helical Systems: Helical Assemblies of Small Molecules, Foldamers, and Polymers with Chiral Amplification and Their Functions
2016 Standout
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Energy decomposition analysis of covalent bonds and intermolecular interactions
2009
Comprehensive Energy Analysis for Various Types of π-Interaction
2009
Speed Limit for Triplet-Exciton Transfer in Solid-State PbS Nanocrystal-Sensitized Photon Upconversion
2017 StandoutNobel
Evolution of water structures in metal-organic frameworks for improved atmospheric water harvesting
2021 StandoutScienceNobel
A Push-Button Molecular Switch
2009 StandoutNobel
Mechanical Bonds and Topological Effects in Radical Dimer Stabilization
2014 StandoutNobel
Chiral Phosphoric Acid Catalyzed Conversion of Epoxides into Thiiranes: Mechanism, Stereochemical Model, and New Catalyst Design
2021 StandoutNobel
Systematic optimization of long-range corrected hybrid density functionals
2008 Standout
Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes
2016 StandoutNobel
Density Functionals with Broad Applicability in Chemistry
2008 Standout
The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory
2016
Activation of olefins via asymmetric Brønsted acid catalysis
2018 StandoutScienceNobel
Mechanically Stabilized Tetrathiafulvalene Radical Dimers
2011 StandoutNobel
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
Magnetic hysteresis up to 80 kelvin in a dysprosium metallocene single-molecule magnet
2018 StandoutScience
Theory and calculation for the electronic coupling in excitation energy transfer
2013
Design and control of gas diffusion process in a nanoporous soft crystal
2019 StandoutScienceNobel
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
2008 Standout
Density Gradation of Open Metal Sites in the Mesospace of Porous Coordination Polymers
2017 StandoutNobel
Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories
2010
Ionic liquids from the bottom up: Local assembly motifs in [EMIM][BF4] through cryogenic ion spectroscopy
2013
Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method
2010
An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2
2016 StandoutNobel
Works of Ryan P. Steele being referenced
The 1,4-phenylenediisocyanide dimer: gas-phase properties and insights into organic self-assembled monolayers
2009
An improved algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis
2007
The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions
2009
How the Shape of an H-Bonded Network Controls Proton-Coupled Water Activation in HONO Formation
2010 Science
On the T-shaped structures of the benzene dimer
2007
Non-Covalent Interactions with Dual-Basis Methods: Pairings for Augmented Basis Sets
2009
Potential Energy Curves for Cation−π Interactions: Off-Axis Configurations Are Also Attractive
2009
Dual-basis second-order Møller-Plesset perturbation theory: A reduced-cost reference for correlation calculations
2006
Communication: Multiple-timestep ab initio molecular dynamics with electron correlation
2013