Citation Impact
Citing Papers
A Porous Crystalline Nitrone‐Linked Covalent Organic Framework**
2023 StandoutNobel
Expansive discovery of chemically diverse structured macrocyclic oligoamides
2024 StandoutScienceNobel
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
Relevance of Electron‐Driven Proton‐Transfer Processes for the Photostability of Proteins
2006
Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe‐Gly‐Phe tripeptide
2007
A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
2011 Standout
Benchmark database on isolated small peptides containing an aromatic side chain: comparison between wave function and density functional theory methods and empirical force field
2008
Controlled Hydrogen‐Bond Breaking in a Rotaxane by Discrete Solvation
2010
Four constitutional isomers of BMpillar[5]arene: synthesis, crystal structures and complexation with n-octyltrimethyl ammonium hexafluorophosphate
2010
Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability
2007
DNA Base Trimers: Empirical and Quantum Chemical Ab Initio Calculations versus Experiment in Vacuo
2006
Strongly Constrained and Appropriately Normed Semilocal Density Functional
2015 Standout
Current trends and challenges in sample preparation for global metabolomics using liquid chromatography–mass spectrometry
2012
Gate-tunable room-temperature ferromagnetism in two-dimensional Fe3GeTe2
2018 StandoutNature
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
2006 Standout
Chirality Recognition between Neutral Molecules in the Gas Phase
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
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
2013
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations
2006
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
2009 Standout
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Structure and Nanostructure in Ionic Liquids
2015 Standout
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
2007 Standout
A Tripodal Molecule on a Gold Surface: Orientation-Dependent Coupling and Electronic Properties of the Molecular Legs
2013 StandoutNobel
Controlling Switching in Bistable [2]Catenanes by Combining Donor–Acceptor and Radical–Radical Interactions
2012 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
Functionalizing Pillar[n]arenes
2014 StandoutNobel
Challenges for Density Functional Theory
2011 Standout
Homologation of the Fischer Indolization: A Quinoline Synthesis via Homo‐Diaza‐Cope Rearrangement
2020 StandoutNobel
A General Quantum Mechanically Derived Force Field (QMDFF) for Molecules and Condensed Phase Simulations
2014
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods
2020 StandoutNobel
The Nonlocal Kernel in van der Waals Density Functionals as an Additive Correction: An Extensive Analysis with Special Emphasis on the B97M-V and ωB97M-V Approaches
2018
Aggregation-Induced Emission: Together We Shine, United We Soar!
2015 Standout
Pyrolytic Depolymerization of Polyolefins Catalysed by Zirconium‐based UiO‐66 Metal–Organic Frameworks
2024 StandoutNobel
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
2017
Resolution of Identity Density Functional Theory Augmented with an Empirical Dispersion Term (RI-DFT-D): A Promising Tool for Studying Isolated Small Peptides
2007
Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate Opening for Ethylene over Ethane
2017 StandoutNobel
Host–Guest Interaction Modulation in Porous Coordination Polymers for Inverse Selective CO2/C2H2Separation
2021 StandoutNobel
Helicenes: Synthesis and Applications
2011 Standout
A generally applicable atomic-charge dependent London dispersion correction
2019
Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
2016
Stiff, and Sticky in the Right Places: Binding Interactions in Isolated Mechanically Interlocked Molecules Probed by Mid-Infrared Spectroscopy
2009
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86)
2017 Standout
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Artificial Molecular Machines
2015 Standout
‘Diet GMTKN55’ offers accelerated benchmarking through a representative subset approach
2018
Transferable Atom-Centered Potentials for the Correction of Basis Set Incompleteness Errors in Density-Functional Theory
2017
A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions − Assessment of Common and Reparameterized (meta-)GGA Density Functionals
2009
Evolution of water structures in metal-organic frameworks for improved atmospheric water harvesting
2021 StandoutScienceNobel
Corrected small basis set Hartree‐Fock method for large systems
2013
Chiral Phosphoric Acid Catalyzed Conversion of Epoxides into Thiiranes: Mechanism, Stereochemical Model, and New Catalyst Design
2021 StandoutNobel
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
Activation of olefins via asymmetric Brønsted acid catalysis
2018 StandoutScienceNobel
Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
2010
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
Design and control of gas diffusion process in a nanoporous soft crystal
2019 StandoutScienceNobel
Stapled β-Hairpins Featuring 4-Mercaptoproline
2021 StandoutNobel
Revealing Noncovalent Interactions
2010 Standout
Molecular Origin of Blood‐Based Infrared Spectroscopic Fingerprints**
2021 StandoutNobel
Mechanical Bond-Induced Radical Stabilization
2012 StandoutNobel
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
2019 Standout
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
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
Proton-Coupled Electron Transfer
2012 Standout
An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2
2016 StandoutNobel
Works of Bridgit Crews being referenced
Shaping of a Conformationally Flexible Molecular Structure for Spectroscopy
2008
Spectroscopy of Isolated Gramicidin Peptides
2006
Structure and IR Spectrum of Phenylalanyl–Glycyl–Glycine Tripetide in the Gas‐Phase: IR/UV Experiments, Ab Initio Quantum Chemical Calculations, and Molecular Dynamic Simulations
2005
Spectroscopy of Isolated Gramicidin Peptides
2006
Discrimination between diastereoisomeric dipeptides by IR–UV double resonance spectroscopy and ab initio calculations
2005
Shaping of a Conformationally Flexible Molecular Structure for Spectroscopy
2008
Variability Analysis of Human Plasma and Cerebral Spinal Fluid Reveals Statistical Significance of Changes in Mass Spectrometry-Based Metabolomics Data
2009