Citation Impact
Citing Papers
On the relationship between folding and chemical landscapes in enzyme catalysis
2008 StandoutNobel
Membrane-tethered mucin-like polypeptides sterically inhibit binding and slow fusion kinetics of influenza A virus
2020 StandoutNobel
Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions
2011 StandoutNobel
Multiwfn: A multifunctional wavefunction analyzer
2011 Standout
Monofunctionalized Pillar[5]arene as a Host for Alkanediamines
2011 StandoutNobel
Chromatin Modifications and Their Function
2007 Standout
Short strong hydrogen bonds: can they explain enzymic catalysis?
1996
Dynamic porous properties of coordination polymers inspired by hydrogen bonds
2005 StandoutNobel
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
2006
Binding Mechanisms in Supramolecular Complexes
2009
Fluorine Interactions at the Thrombin Active Site: Protein Backbone Fragments HCαCO Comprise a Favorable CF Environment and Interactions of CF with Electrophiles
2004
Local Structures of Water in 1-Butyl-3-methylimidazolium Tetrafluoroborate Probed by High-Pressure Infrared Spectroscopy
2008
Materials for electrochemical capacitors
2008 Standout
Interactions with Aromatic Rings in Chemical and Biological Recognition
2003 Standout
The Low Barrier Hydrogen Bond in Enzymatic Catalysis
1998
Examining the Contributions of Lipid Shape and Headgroup Charge on Bilayer Behavior
2008
The Hydrogen Bond in the Solid State
2002 Standout
Mechanism of Chorismate Mutase: Contribution of Conformational Restriction to Catalysis in the Claisen Rearrangement
1999
The Electronegativity Equalization Method II: Applicability of Different Atomic Charge Schemes
2002
First O−H−N Hydrogen Bond with a Centered Proton Obtained by Thermally Induced Proton Migration
2001
Characterization of Low-Barrier Hydrogen Bonds. 5. Microsolvation of Enol−Enolate. An ab Initio and DFT Investigation
1997
Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches
2005
Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
On the Validity of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations
2001
Structural Change of 1-Butyl-3-methylimidazolium Tetrafluoroborate + Water Mixtures Studied by Infrared Vibrational Spectroscopy
2008
Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2
2011 Standout
Triazolophanes: A New Class of Halide-Selective Ionophores for Potentiometric Sensors
2009
Complexation of Polyoxometalates with Cyclodextrins
2015 StandoutNobel
The ONIOM Method and Its Applications
2015
Cooperativity in ionic liquids
2006
THE GREEN FLUORESCENT PROTEIN
1998 StandoutNobel
Ketosteroid isomerase provides further support for the idea that enzymes work by electrostatic preorganization
2010 StandoutNobel
Measurement of the ground-state distributions in bistable mechanically interlocked molecules using slow scan rate cyclic voltammetry
2011 StandoutNobel
A new paradigm for electrostatic catalysis of radical reactions in vitamin B 12 enzymes
2007 StandoutNobel
One-Component Multifunctional Sequence-Defined Ionizable Amphiphilic Janus Dendrimer Delivery Systems for mRNA
2021 StandoutNobel
Attosecond physics
2009 StandoutNobel
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
Fluorescence correlation spectroscopy reveals fast optical excitation-driven intramolecular dynamics of yellow fluorescent proteins
2000 StandoutNobel
Correlation between Energy, Polarizability, and Hardness Profiles in the Isomerization Reaction of HNO and ClNO
2000
Protonation effects on the chromophore of green fluorescent protein. Quantum chemical study of the absorption spectrum
1997
Blue-Shifting Hydrogen Bonds
2002
Apparent NAC Effect in Chorismate Mutase Reflects Electrostatic Transition State Stabilization
2003 StandoutNobel
New Universal Solvation Model and Comparison of the Accuracy of the SM5.42R, SM5.43R, C-PCM, D-PCM, and IEF-PCM Continuum Solvation Models for Aqueous and Organic Solvation Free Energies and for Vapor Pressures
2004
Cooperative C−H···O Hydrogen Bonding in CO2−Lewis Base Complexes: Implications for Solvation in Supercritical CO2
2002
A QM/MM Study of the Racemization of Vinylglycolate Catalyzed by Mandelate Racemase Enzyme
2001
Conceptual Density Functional Theory
2003 Standout
Mechanism of [2 + 1] Cycloadditions of Hydrogen Isocyanide to Alkynes: Molecular Orbital and Density Functional Theory Study
1999
Blue-Shifting Hydrogen Bonds
2000 Standout
Computer Simulation of the Chemical Catalysis of DNA Polymerases: Discriminating between Alternative Nucleotide Insertion Mechanisms for T7 DNA Polymerase
2003 StandoutNobel
Conformational stabilities of 1-methoxy-2-(methylthio)ethane and relevant intramolecular CH⋯O interaction studied by matrix-isolation infrared spectroscopy and density functional calculations
2002
Carbohydrate-Mediated Purification of Petrochemicals
2015 StandoutNobel
Effects of water and methanol on the molecular organization of 1-butyl-3-methylimidazolium tetrafluoroborate as functions of pressure and concentration
2008
Two Dimensional Chiral Networks Emerging from the Aryl−F···H Hydrogen-Bond-Driven Self-Assembly of Partially Fluorinated Rigid Molecular Structures
2008 StandoutNobel
Studies of isomer stability using the maximum hardness principle (MHP)
2000
Trapping lithium polysulfides of a Li–S battery by forming lithium bonds in a polymer matrix
2015 StandoutNobel
Fluorine in Pharmaceuticals: Looking Beyond Intuition
2007 StandoutScience
How Much Do Enzymes Really Gain by Restraining Their Reacting Fragments?
2002 StandoutNobel
Weak hydrogen bonds: theoretical studies
2000 Standout
Quantum chemical modeling of structure and absorption spectra of the chromophore in green fluorescent proteins
1998
Conceptual and Computational DFT in the Study of Aromaticity
2001
Distortion Pathways of Transition Metal Coordination Polyhedra Induced by Chelating Topology
2015
Investigation of the regio- and stereoselectivity of Diels–Alder reactions by newly developed ABEEM σπ model on the basis of local HSAB principle and maximum hardness principle
2002
The Nature of Improper, Blue-Shifting Hydrogen Bonding Verified Experimentally
2001
Understanding the Mechanism of B12-Dependent Methylmalonyl-CoA Mutase: Partial Proton Transfer in Action
1999
Computer simulations of protein functions: Searching for the molecular origin of the replication fidelity of DNA polymerases
2005 StandoutNobel
Studies of chemical hardness and chemical potential on isomers and hardness profiles of hydrogen-bonded systems
1997
Artificial Organic Host Molecules for Anions
1997 Standout
The Energetics of Hydrogen Bonds in Model Systems: Implications for Enzymatic Catalysis
1996 Science
Molecular Hardness, Polarizability and Valency Variation of Formamide and Thioformamide on Internal Rotation: A Density Functional Study
2000
Structures of Metal–Organic Frameworks with Rod Secondary Building Units
2016 StandoutNobel
The Shielding Constants and Scalar Couplings in N−H···OC and N−H···NC Hydrogen Bonded Systems: An ab Initio MO Study
2000
Powder Synthesis and Characterization of Amorphous Carbon Nitride
2000
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
DNA-Based Asymmetric Catalysis: Sequence-Dependent Rate Acceleration and Enantioselectivity
2008 StandoutNobel
Characterization of Low-Barrier Hydrogen Bonds. 6. Cavity Polarity Effects on the Formic Acid−Formate Anion Model System. An ab Initio and DFT Investigation
1998
Density functional study of the relationship between energy, hardness, and polarizability of molecules in nonequilibrium situations
1997
How Strong Is the Cα−H···OC Hydrogen Bond?
2000
A Density Functional Approach to Hardness, Polarizability, and Valency of Molecules in Chemical Reactions
1996
Computer simulations of enzyme catalysis: Finding out what has been optimized by evolution
1998 StandoutNobel
Strong and Confined Acids Control Five Stereogenic Centers in Catalytic Asymmetric Diels–Alder Reactions of Cyclohexadienones with Cyclopentadiene
2020 StandoutNobel
Solvent–solute interactions in ionic liquids
2003
Enzyme millisecond conformational dynamics do not catalyze the chemical step
2009 StandoutNobel
Origin of the Catalytic Power of Acetylcholinesterase: Computer Simulation Studies
1998 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Ab Initio Calculation of Nonbonded Interactions: Are We There Yet?
2000
Carbon nanotubes for clean energy applications
2005
Density-Functional Approach to Hardness Evaluation and Its Use in the Study of the Maximum Hardness Principle
1998
Mechanistic Studies on Synthetic Fe−S-Based Clusters and Their Relevance to the Action of Nitrogenases
2005 StandoutNobel
Ab initio SCF study of maximum hardness and maximum molecular valency principles
1993
Comprehensive ab initio studies of nuclear magnetic resonance shielding and coupling constants in XH⋯O hydrogen-bonded complexes of simple organic molecules
2000
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
Supramolecular Gelation of Rigid Triangular Macrocycles through Rings of Multiple C–H···O Interactions Acting Cooperatively
2016 StandoutNobel
Erste O−H−N‐Wasserstoffbrücke mit zentriertem Proton, erhalten durch thermisch induzierte Protonenwanderung
2001
Experimental Evidence for Intramolecular Blue-Shifting C−H···O Hydrogen Bonding by Matrix-Isolation Infrared Spectroscopy
2003 StandoutNobel
Energy considerations show that low-barrier hydrogen bonds do not offer a catalytic advantage over ordinary hydrogen bonds
1996 StandoutNobel
Density Functional Approach to Regiochemistry, Activation Energy, and Hardness Profile in 1,3-Dipolar Cycloadditions
1998
Inverse Hydrogen-Bonded Complexes
1997
Raman Spectroscopic Evidence for Cooperative C−H···O Interactions in the Acetaldehyde−CO2 Complex
2002
Metal-free efficient photocatalyst for stable visible water splitting via a two-electron pathway
2015 StandoutScience
Exploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase
2010 StandoutNobel
The Cα—H⋅⋅⋅O hydrogen bond: A determinant of stability and specificity in transmembrane helix interactions
2001
Works of Tapas Kar being referenced
Strength of the CαH··O Hydrogen Bond of Amino Acid Residues
2001
A novel approach for the design of a highly selective sulfate-ion-selective electrode
2008
Hardness and Chemical Potential Profiles for Some Open-Shell HAB → HBA Type Reactions. Ab Initio and Density Functional Study
1998
Influence of Hybridization and Substitution on the Properties of the CH···O Hydrogen Bond
2001
Hardness Profiles of Some 1,2-Hydrogen Shift Reactions
1995
IR Characterization of Tip-Functionalized Single-Wall Carbon Nanotubes
2010
A theoretical study of functionalized single-wall carbon nanotubes: ONIOM calculations
2004
Comparison of ab Initio Hartree−Fock and Kohn−Sham Orbitals in the Calculation of Atomic Charge, Bond Index, and Valence
2000
Open-ended modified single-wall carbon nanotubes: A theoretical study of the effects of purification
2006
Insertion of Lithium Ions into Carbon Nanotubes: An ab Initio Study
2001
Comparison of ab Initio Hartree−Fock and Kohn−Sham Orbitals in the Calculation of Atomic Charge, Bond Index, and Valence
2000
The Nonexistence of Specially Stabilized Hydrogen Bonds in Enzymes
1995
An attempt towards coordination supramolecularity from Mn(II), Ni(II) and Cd(II) with a new hexadentate [N4O2] symmetrical Schiff base ligand: Syntheses, crystal structures, electrical conductivity and optical properties
2008
Red- versus Blue-Shifting Hydrogen Bonds: Are There Fundamental Distinctions?
2002
Molecular orbital calculations of valency within the framework of a general non-singular transformation of the atomic orbital basis sets
1990
Comparison of atomic charges, valencies and bond orders in some hydrogen-bonded complexes calculated from Mulliken and Löwdin SCF density matrices
1987
Evaluation of the H-bonding properties of CH⋯O interactions based upon NMR spectra
2000
Effect of a general nonsingular transformation of the AO basis set on MO calculations of valency
1989
Fundamental Properties of the CH···O Interaction: Is It a True Hydrogen Bond?
1999
Comparison of the CH⋯N and CH⋯O interactions involving substituted alkanes
2000
Three-center bond index
1990
The lithium bond reexamined
1990
Ab initio theoretical study of the electronic structure, stability and bonding of MXY− ions (M = H, Li, Na; X, Y= F, C1)
1992
Three-center four-electron bonds and their indices
1992
Comparison of Cooperativity in CH···O and OH···O Hydrogen Bonds
2004
Comparison of Various Types of Hydrogen Bonds Involving Aromatic Amino Acids
2002
Structure, Stability, and Bonding of BC2N: An ab Initio Study
1998
Noncovalent π−π Stacking and CH---π Interactions of Aromatics on the Surface of Single-Wall Carbon Nanotubes: An MP2 Study
2008