Citation Impact
Citing Papers
Combining Topological and Steric Constraints for the Preparation of Heteroleptic Copper(I) Complexes
2014 StandoutNobel
Valence bond theory for chemical dynamics
2006
Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water
2018 Standout
Maleimide–thiol adducts stabilized through stretching
2019
Nature of halogen bonding. A study based on the topological analysis of the Laplacian of the electron charge density and an energy decomposition analysis
2012
Ene‐ene‐yne Reactions: Activation Strain Analysis and the Role of Aromaticity
2014
On the Nature of Blueshifting Hydrogen Bonds
2014
The EVB as a quantitative tool for formulating simulations and analyzing biological and chemical reactions
2009 StandoutNobel
Guest Modulation of Spin‐Crossover Transition Temperature in a Porous Iron(II) Metal–Organic Framework: Experimental and Periodic DFT Studies
2014 StandoutNobel
Zirconium‐Metalloporphyrin PCN‐222: Mesoporous Metal–Organic Frameworks with Ultrahigh Stability as Biomimetic Catalysts
2012 Standout
”Developing paradigms of chemical bonding: adaptive natural density partitioning
2008 Standout
Hydrogen‐Abstraction Reactivity Patterns from A to Y: The Valence Bond Way
2012
Architectural Stabilization of a Gold(III) Catalyst in Metal-Organic Frameworks
2019 StandoutNobel
At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?
2009 StandoutNobel
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
2021 Standout
Exploring σ-hole bonding in XH3Si···HMY (X=H, F, CN; M=Be, Mg; Y=H, F, CH3) complexes: a “tetrel-hydride” interaction
2015
Why are the Interaction Energies of Charge-Transfer Complexes Challenging for DFT?
2012
Strength of the Pnicogen Bond in Complexes Involving Group Va Elements N, P, and As
2014
Unraveling Atomic Contributions to the London Dispersion Energy: Insights into Molecular Recognition and Reactivity
2024
The propensity for covalent organic frameworks to template polymer entanglement
2024 StandoutScienceNobel
LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT
2016 Standout
Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase SN2 Reaction of Acetate Ion with 1,2-Dichloroethane
2009
Continuous surface charge polarizable continuum models of solvation. I. General formalism
2010 Standout
Rhodium–Organic Cuboctahedra as Porous Solids with Strong Binding Sites
2016 StandoutNobel
Intermolecular Sulfur···Oxygen Interactions: Theoretical and Statistical Investigations
2015
The ORCA quantum chemistry program package
2020 Standout
Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions
2019
Melioidosis: Epidemiology, Pathophysiology, and Management
2005 Standout
Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design
2018 Standout
P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations
2009
Achieving high energy density and high power density with pseudocapacitive materials
2019 Standout
Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model
2017 Standout
Characteristic Features of CO2 and CO Adsorptions to Paddle-Wheel-type Porous Coordination Polymer
2017 StandoutNobel
Narrowing the Gap between Theoretical and Practical Capacities in Li‐Ion Layered Oxide Cathode Materials
2017 StandoutNobel
One‐electron images in real space: Natural adaptive orbitals
2015
On The Nature of the Halogen Bond
2014
Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry
2015
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods
2020 StandoutNobel
Development of a Porous Coordination Polymer with a High Gas Capacity Using a Thiophene-Based Bent Tetracarboxylate Ligand
2017 StandoutNobel
The Origin of Chalcogen-Bonding Interactions
2017 Standout
A Catenane as a Mechanical Protecting Group
2020
Heavy Atom Free Singlet Oxygen Generation: Doubly Substituted Configurations Dominate S1 States of Bis-BODIPYs
2012
Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices
2015 StandoutNobel
A Unified Theory for the Blue- and Red-Shifting Phenomena in Hydrogen and Halogen Bonds
2017
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
Designing solid-state electrolytes for safe, energy-dense batteries
2020 Standout
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
2017 Standout
Central nervous system melioidosis in children.
1990
BODIPY dyes in photodynamic therapy
2012 Standout
Application of polarizable ellipsoidal force field model to pnicogen bonds
2015
A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems
2015
The empirical valence bond model: theory and applications
2011 StandoutNobel
Wasserstoffatomabstraktion von A bis Y: Reaktionsmuster nach der Valenzstrukturtheorie
2012
Modeling nitrogen chemistry in combustion
2018 Standout
Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase SN2 Reaction of Acetate Ion with 1,2-Dichloroethane
2008
On Unjustifiably Misrepresenting the EVB Approach While Simultaneously Adopting It
2009 StandoutNobel
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+
2014
Interaction of Various Gas Molecules with Paddle-Wheel-Type Open Metal Sites of Porous Coordination Polymers: Theoretical Investigation
2014
A review of surfactants as corrosion inhibitors and associated modeling
2017 Standout
The Halogen Bond
2016 Standout
Density Functionals with Broad Applicability in Chemistry
2008 Standout
Research Development on Sodium-Ion Batteries
2014 Standout
DRIFT and Theoretical Studies of Ethylene/Ethane Separation on Flexible and Microporous [Cu2(2,3‐pyrazinedicarboxylate)2(pyrazine)]n
2014 StandoutNobel
Ab initio Calculation of Impurity–Vacancy Complexes in Diamond at High Pressure
2019 StandoutNobel
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
Origin of Linear Free Energy Relationships: Exploring the Nature of the Off-Diagonal Coupling Elements in SN2 Reactions
2012 StandoutNobel
From Lithium‐Ion to Sodium‐Ion Batteries: Advantages, Challenges, and Surprises
2017 Standout
CF2H, a Hydrogen Bond Donor
2017 Standout
Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems
2016
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
2019 Standout
Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study
2018
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
Software update: The ORCA program system—Version 5.0
2022 Standout
Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory
2023
Electrostatic Domination of the Effect of Electron Correlation in Intermolecular Interactions
2014
Theoretical Analysis on De-Solvation of Lithium, Sodium, and Magnesium Cations to Organic Electrolyte Solvents
2013
A new type of halogen bond involving multivalent astatine: an ab initio study
2019
A VB/MM View of the Identity SN2 Valence-Bond State Correlation Diagram in Aqueous Solution
2008
Works of Peifeng Su being referenced
Multi-modal mechanophores based on cinnamate dimers
2017
The Menshutkin Reaction in the Gas Phase and in Aqueous Solution: A Valence Bond Study
2007
Quadruple bonding in C2 and analogous eight-valence electron species
2012
VBSM: A Solvation Model Based on Valence Bond Theory
2008
Generalized Kohn‐Sham energy decomposition analysis and its applications
2020
Free energy decomposition analysis of bonding and nonbonding interactions in solution
2012
DFVB: A Density-Functional-Based Valence Bond Method
2012
Continuous and smooth potential energy surface for conductorlike screening solvation model using fixed points with variable areas
2009
Energy decomposition analysis of covalent bonds and intermolecular interactions
2009
Energy Decomposition Scheme Based on the Generalized Kohn–Sham Scheme
2014
Red-Shifting versus Blue-Shifting Hydrogen Bonds: Perspective from Ab Initio Valence Bond Theory
2016
Classical Valence Bond Approach by Modern Methods
2011
2021
Valence Bond Calculations of Hydrogen Transfer Reactions: A General Predictive Pattern Derived from Theory
2004
Bonding Conundrums in the C2 Molecule: A Valence Bond Study
2010