Citation Impact
Citing Papers
Constraining the electron densities in DFT method as an effective way forab initio studies of metal-catalyzed reactions
2000 StandoutNobel
Electron transport through catechol-functionalized molecular rods
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Stochastic thermodynamics, fluctuation theorems and molecular machines
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Examining the case for the effect of barrier compression on tunneling, vibrationally enhanced catalysis, catalytic entropy and related issues
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What Really Prevents Proton Transport through Aquaporin? Charge Self-Energy versus Proton Wire Proposals
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Lessons from nature about solar light harvesting
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New insights into enzyme catalysis
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Theoretical studies of proton-coupled electron transfer: Models and concepts relevant to bioenergetics
2007
At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?
2009 StandoutNobel
The energetics of the primary proton transfer in bacteriorhodopsin revisited: It is a sequential light-induced charge separation after all
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Utilizing redox-chemistry to elucidate the nature of exciton transitions in supramolecular dye nanotubes
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Potential of mean force and reaction rates for proton transfer in acetylacetone
1997
Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes
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Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
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Dynamical Contributions to Enzyme Catalysis: Critical Tests of A Popular Hypothesis
2006 StandoutNobel
Enzymatic H-Transfer Requires Vibration-Driven Extreme Tunneling
1999
Charge Transfer on the Nanoscale: Current Status
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Computer Simulation of Liquids
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Comment on “Effect of Active Site Mutation Phe93 → Trp in the Horse Liver Alcohol Dehydrogenase Enzyme on Catalysis: A Molecular Dynamics Study”
2003 StandoutNobel
Distribution of single-molecule line widths
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An ensemble uncertainty aware measure for directed hill climbing ensemble pruning
2010
Coherent Multidimensional Optical Spectroscopy of Excitons in Molecular Aggregates; Quasiparticle versus Supermolecule Perspectives
2009
Energetics and Dynamics of Enzymatic Reactions
2001 StandoutNobel
Solute Solvent Dynamics and Energetics in Enzyme Catalysis: The SN2 Reaction of Dehalogenase as a General Benchmark
2004 StandoutNobel
Weighted classifier ensemble based on quadratic form
2014
Reduced Dynamics with Initial Correlations, and Time-Dependent Environment and Hamiltonians
1996
Quantum Dot/J-Aggregate Blended Films for Light Harvesting and Energy Transfer
2010 StandoutNobel
Lattice-Gas Cellular Automata and Lattice Boltzmann Models: An Introduction
2000
Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer
2018 Standout
Impulsive excitation of coherent vibrational motion ground surface dynamics induced by intense short pulses
1994
Proton-Coupled Electron Transfer in Soybean Lipoxygenase: Dynamical Behavior and Temperature Dependence of Kinetic Isotope Effects
2006
How two-dimensional brick layer J-aggregates differ from linear ones: Excitonic properties and line broadening mechanisms
2016
Electrochemical proton-coupled electron transfer: Beyond the golden rule
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Direct Observation of the Transition State
1995 StandoutNobel
Theoretical Formulation of Nonadiabatic Electrochemical Proton-Coupled Electron Transfer at Metal−Solution Interfaces
2008
Quantum fluids of light
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Beyond Förster Resonance Energy Transfer in Biological and Nanoscale Systems
2009
Ensemble approaches for regression
2012
Femtochemistry: Recent Progress in Studies of Dynamics and Control of Reactions and Their Transition States
1996 StandoutNobel
Large kinetic isotope effects in enzymatic proton transfer and the role of substrate oscillations
1997
Quantifying Free Energy Profiles of Proton Transfer Reactions in Solution and Proteins by Using a Diabatic FDFT Mapping
2008 StandoutNobel
Molecular-Scale Electronics: From Concept to Function
2016 Standout
A phase-space study of Bloch–Redfield theory
1997
Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry
2008
Promoting Modes and Demoting Modes in Enzyme-Catalyzed Proton Transfer Reactions: A Study of Models and Realistic Systems
2002
A Theory that Connects Proton-Coupled Electron-Transfer and Hydrogen-Atom Transfer Reactions
2002
Proton-Transfer Dynamics in the Activation of Cytochrome P450eryF
2002
How Important Are Quantum Mechanical Nuclear Motions in Enzyme Catalysis?
1996 StandoutNobel
Proton-coupled electron transfer reactions in solution: Molecular dynamics with quantum transitions for model systems
1997
Coarse-Grained (Multiscale) Simulations in Studies of Biophysical and Chemical Systems
2011 StandoutNobel
Anomalous temperature-isotope dependence in proton-coupled electron transfer
2006
Photoinduced homogeneous proton-coupled electron transfer: Model study of isotope effects on reaction dynamics
2009
Non-Markovian evolution of the density operator in the presence of strong laser fields
1999
Hybrid approach for the dynamical simulation of proton and hydride transfer in solution and proteins
2001
Origin of the Temperature Dependence of Isotope Effects in Enzymatic Reactions: The Case of Dihydrofolate Reductase
2007 StandoutNobel
A competitive ensemble pruning approach based on cross-validation technique
2012
Proton transfer in solution: Molecular dynamics with quantum transitions
1994
On the Adequacy of Mixed Quantum-Classical Dynamics in Condensed Phase Systems
1999
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies
2008 StandoutNobel
Update 1 of: Electrochemical Approach to the Mechanistic Study of Proton-Coupled Electron Transfer
2010
Electron Transfer Rates in Bridged Molecular Systems: A Phenomenological Approach to Relaxation
1997
Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions
2004
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
The second entropy: a general theory for non-equilibrium thermodynamics and statistical mechanics
2009
Nonequilibrium fluctuations, fluctuation theorems, and counting statistics in quantum systems
2009
Simulation of Tunneling in Enzyme Catalysis by Combining a Biased Propagation Approach and the Quantum Classical Path Method: Application to Lipoxygenase
2007 StandoutNobel
Multiconfigurational molecular dynamics with quantum transitions: Multiple proton transfer reactions
1996
On Unjustifiably Misrepresenting the EVB Approach While Simultaneously Adopting It
2009 StandoutNobel
Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer reactions
1997
The large deviation approach to statistical mechanics
2009
A path integral study of electronic polarization and nonlinear coupling effects in condensed phase proton transfer reactions
1994
Enzyme catalysis: over-the-barrier or through-the-barrier?
2000
Random forest in remote sensing: A review of applications and future directions
2016 Standout
Large deviations of correlation functions in random magnets
2014 StandoutNobel
Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions
2000 StandoutNobel
Identification of a Protein-Promoting Vibration in the Reaction Catalyzed by Horse Liver Alcohol Dehydrogenase
2002
Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces
2008
Activated chemistry in the presence of a strongly symmetrically coupled vibration
1998
Phase space approach to theories of quantum dissipation
1997
A quantum molecular-dynamics study of proton-transfer reactions along asymmetrical H bonds in solution
1993
Quantum dynamics in low-temperature chemistry
1993
Extended spin-boson model for nonadiabatic hydrogen tunneling in the condensed phase
2006
Calculations of Activation Entropies of Chemical Reactions in Solution
2000 StandoutNobel
A survey of multiple classifier systems as hybrid systems
2013
Quantum Mechanical Continuum Solvation Models
2005 Standout
Decision forest: Twenty years of research
2015
Origin of Linear Free Energy Relationships: Exploring the Nature of the Off-Diagonal Coupling Elements in SN2 Reactions
2012 StandoutNobel
Simulation of Proton Transfer Reaction Rates: The Role of Solvent Electronic Polarization
1997
Mechanism of Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes
2004 Standout
Current Status of Transition-State Theory
1996 Standout
Curve Crossing Formulation for Proton Transfer Reactions in Solution
1996
The random walk's guide to anomalous diffusion: a fractional dynamics approach
2000 Standout
Dynamics of Light Harvesting in Photosynthesis
2008
Lattice-Boltzmann Method for Complex Flows
2009 Standout
Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems
2006 StandoutNobel
Calculation of quantum activation free energies for proton transfer reactions in polar solvents
1992
Theory of coherent resonance energy transfer
2008
Enzymology takes a quantum leap forward
2000
A Theory of Electron Transfer and Steady-State Optical Spectra of Chromophores with Varying Electronic Polarizability
1999
Generalized Kasha’s Model: T-Dependent Spectroscopy Reveals Short-Range Structures of 2D Excitonic Systems
2019 StandoutNobel
Ensemble learning: A survey
2018 Standout
Proton-Coupled Electron Transfer
2012 Standout
Random Forests with ensemble of feature spaces
2014
Thermally-Limited Exciton Delocalization in Superradiant Molecular Aggregates
2012 StandoutNobel
Structure and Chemistry of Cytochrome P450
2005 Standout
Electrochemical Approach to the Mechanistic Study of Proton-Coupled Electron Transfer
2008
Theory of open quantum systems
2002 Standout
Works of Alberto Suárez being referenced
An Analysis of Ensemble Pruning Techniques Based on Ordered Aggregation
2009
Statistical Instance-Based Pruning in Ensembles of Independent Classifiers
2008
On the nonperturbative theory of pure dephasing in condensed phases at low temperatures
1996
Thermodynamic and stochastic theory of nonequilibrium systems: Fluctuation probabilities and excess work
1995
Switching class labels to generate classification ensembles
2005
Using All Data to Generate Decision Tree Ensembles
2004
Using boosting to prune bagging ensembles
2006
Pruning in ordered bagging ensembles
2006
Memory effects in the relaxation of quantum open systems
1992
Nonlinear Hydrodynamics of Lattice-Gas Automata with Semi-Detailed Balance
1997
Study of a Microscopic Model for Two-Level System Dynamics in Glasses
1994
Pruning in Ordered Regression Bagging Ensembles
2006
How large should ensembles of classifiers be?
2012
Thermodynamic and stochastic theory of nonequilibrium systems: A Lagrangian approach to fluctuations and relation to excess work
1995
Hydrogen tunneling in condensed media
1991
Properties of a macroscopic system as a thermal bath
1991