Citation Impact
Citing Papers
Carbon dioxide capture from open air using covalent organic frameworks
2024 StandoutNatureNobel
Synthesis and properties of gold alkene complexes. Crystal structure of [Au(bipyoXyl)(η2-CH2CHPh)](PF6) and DFT calculations on the model cation [Au(bipy)(η2-CH2CH2)]+
2006
Breaking scaling relations to achieve low-temperature ammonia synthesis through LiH-mediated nitrogen transfer and hydrogenation
2016
Characterization of the Monovalent Ion Position and Hydrogen‐Bond Network in Guanine Quartets by DFT Calculations of NMR Parameters
2005
The calculations of excited-state properties with Time-Dependent Density Functional Theory
2012 Standout
The Magnitude of Hyperconjugation in Ethane: A Perspective from Ab Initio Valence Bond Theory
2004
On the Nature of Blueshifting Hydrogen Bonds
2014
Gate-tunable room-temperature ferromagnetism in two-dimensional Fe3GeTe2
2018 StandoutNature
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
2006 Standout
Nanostructured hydrotreating catalysts for electrochemical hydrogen evolution
2014 Standout
Experimental and Computational Probes of the Nature of Halogen Bonding: Complexes of Bromine‐Containing Molecules with Bromide Anions
2013
Effect of the damping function in dispersion corrected density functional theory
2011 Standout
Quadruplex DNA: sequence, topology and structure
2006 Standout
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Iron Catalysis in Organic Synthesis
2015 Standout
Continuous surface charge polarizable continuum models of solvation. I. General formalism
2010 Standout
The ORCA quantum chemistry program package
2020 Standout
A Tripodal Molecule on a Gold Surface: Orientation-Dependent Coupling and Electronic Properties of the Molecular Legs
2013 StandoutNobel
Scalable and Highly Diastereo- and Enantioselective Catalytic Diels–Alder Reaction of α,β-Unsaturated Methyl Esters
2018 StandoutNobel
Effect of the self-interaction error for three-electron bonds: On the development of new exchange-correlation functionals
2004
Highly Selective and Sharp Volcano-type Synergistic Ni2Pt@ZIF-8-Catalyzed Hydrogen Evolution from Ammonia Borane Hydrolysis
2018
The ONIOM Method and Its Applications
2015
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules
2019 StandoutNobel
The ORCA program system
2011 Standout
State of the Art and Prospects in Metal–Organic Framework (MOF)-Based and MOF-Derived Nanocatalysis
2019 Standout
Application of Cooperative Iron/Copper Catalysis to a Palladium-Free Borylation of Aryl Bromides with Pinacolborane
2014
Pd NPs-Loaded Homochiral Covalent Organic Framework for Heterogeneous Asymmetric Catalysis
2017
Amphiphilic Molecular Motors for Responsive Aggregation in Water
2015 StandoutNobel
Insights into exfoliation possibility of MAX phases to MXenes
2018
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
Gold-Catalyzed Cycloisomerizations of Enynes: A Mechanistic Perspective
2008 Standout
Covalent Organic Frameworks: Design, Synthesis, and Functions
2020 Standout
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
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
Environmental Effects on the Spectroscopic Properties of Gallic Acid: A Combined Classical and Quantum Mechanical Study
2005
Semiempirical hybrid density functional with perturbative second-order correlation
2006 Standout
Ultrafast Light-Driven Nanomotors Based on an Acridane Stator
2009 StandoutNobel
A new class of chiral pyrrolidine for asymmetric Michael addition reactions. New mechanism via simple 4+2 type attack of the enamine on the trans-nitrostyrene
2006
Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions
2015 Standout
WIEN2k: An APW+lo program for calculating the properties of solids
2020 Standout
Self-Supported Nanoporous Cobalt Phosphide Nanowire Arrays: An Efficient 3D Hydrogen-Evolving Cathode over the Wide Range of pH 0–14
2014 Standout
SiO2-Encompassed Co@N-Doped Porous Carbon Assemblies as Recyclable Catalysts for Efficient Hydrolysis of Ammonia Borane
2019
Delicate Softness in a Temperature-Responsive Porous Crystal for Accelerated Sieving of Propylene/Propane
2023 StandoutNobel
Recent advances in transition metal phosphide nanomaterials: synthesis and applications in hydrogen evolution reaction
2016 Standout
Improved Hydrogen Release from Ammonia–Borane with ZIF-8
2012
Analytic derivatives for perturbatively corrected “double hybrid” density functionals: Theory, implementation, and applications
2007
Concerted vs Stepwise Mechanisms in Dehydro-Diels–Alder Reactions
2011
Recent Advances in Electrocatalytic Hydrogen Evolution Using Nanoparticles
2019 Standout
Functional Hybrid Porous Coordination Polymers
2013 StandoutNobel
Fluorine-containing donor-acceptor complexes: crystallographic study of the interactions between electronegative atoms (N, O, S) and halogen atoms (I, Br)
2003
Post-synthetic cation exchange in the robust metal–organic framework MIL-101(Cr)
2013
Consistent structures and interactions by density functional theory with small atomic orbital basis sets
2015
Applications of 2D MXenes in energy conversion and storage systems
2018 Standout
The Halogen Bond
2016 Standout
Spin-component scaled second-order Møller–Plesset perturbation theory for the calculation of molecular geometries and harmonic vibrational frequencies
2004
Unveiling the Activity Origin of a Copper‐based Electrocatalyst for Selective Nitrate Reduction to Ammonia
2020 Standout
ELECTRONIC DELOCALIZATION: A QUANTITATIVE STUDY FROM MODERN AB INITIO VALENCE BOND THEORY
2002
Anisotropy of the Induced Current Density (ACID), a General Method To Quantify and Visualize Electronic Delocalization
2005 Standout
Activation of olefins via asymmetric Brønsted acid catalysis
2018 StandoutScienceNobel
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
High-Temperature Water Adsorption Isotherms and Ambient Temperature Water Diffusion Rates on Water Harvesting Metal–Organic Frameworks
2024 StandoutNobel
Magnetic hysteresis up to 80 kelvin in a dysprosium metallocene single-molecule magnet
2018 StandoutScience
CF2H, a Hydrogen Bond Donor
2017 Standout
Asymmetric Enamine Catalysis
2007 StandoutNobel
Fluorine-Containing Donor−Acceptor Complex: Infinite Chain Formed by Oxygen···Iodine Interaction
2001
Nanoscaled Metal Borides and Phosphides: Recent Developments and Perspectives
2013
Assessment of a long-range corrected hybrid functional
2006 Standout
Facile synthesis and electrochemical performance of the nanoscaled FeP anode
2014 StandoutNobel
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
2009 Standout
Gold(I)-Catalyzed Activation of Alkynes for the Construction of Molecular Complexity
2015 Standout
Works of Anan Wu being referenced
Lithium Imide Synergy with 3d Transition‐Metal Nitrides Leading to Unprecedented Catalytic Activities for Ammonia Decomposition
2015
Growth of Crystalline Polyaminoborane through Catalytic Dehydrogenation of Ammonia Borane on FeB Nanoalloy
2010
Highly Enantioselective Henry Reactions of Aromatic Aldehydes Catalyzed by an Amino Alcohol–Copper(II) Complex
2012
XO: An extended ONIOM method for accurate and efficient modeling of large systems
2012
XO: An extended ONIOM method for accurate and efficient geometry optimization of large molecules
2010
Some Thoughts about Bond Energies, Bond Lengths, and Force Constants
2000
(N,N-Dimethylaminoxy)trifluorosilane: Strong, Dipole Moment Driven Changes in the Molecular Geometry Studied by Experiment and Theory in Solid, Gas, and Solution Phases
2000
Investigation of the NMR Spin−Spin Coupling Constants across the Hydrogen Bonds in Ubiquitin: The Nature of the Hydrogen Bond as Reflected by the Coupling Mechanism
2004
Atomically Dispersed Pt on the Surface of Ni Particles: Synthesis and Catalytic Function in Hydrogen Generation from Aqueous Ammonia–Borane
2017
Mechanism of the Diels−Alder Reaction Studied with the United Reaction Valley Approach: Mechanistic Differences between Symmetry-Allowed and Symmetry-Forbidden Reactions
2003
Extension of the Karplus Relationship for NMR Spin−Spin Coupling Constants to Nonplanar Ring Systems: Pseudorotation of Cyclopentane
2002
Metathesis of alkali-metal amidoborane and FeCl3 in THF
2012
17O NMR Chemical Shifts of Polyoxides in Gas Phase and in Solution
2003
The Role of the HOOO- Anion in the Ozonation of Alcohols: Large Differences in the Gas-Phase and in the Solution-Phase Mechanism
2003
Analysis of the NMR Spin−Spin Coupling Mechanism Across a H−Bond: Nature of the H-Bond in Proteins
2003
Efficient algorithm for the spin-free valence bond theory. I. New strategy and primary expressions
1998