Citation Impact
Citing Papers
An overview of the MILAGRO 2006 Campaign: Mexico City emissions and their transport and transformation
2010
QM/MM Methods for Biomolecular Systems
2009 Standout
Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method
2002
Molecular Single‐Bond Covalent Radii for Elements 1–118
2008 Standout
Gas-phase broadband spectroscopy using active sources: progress, status, and applications [Invited]
2016
Quantitative exploration of the molecular origin of the activation of GTPase
2013 StandoutNobel
Multi-watt, multi-octave, mid-infrared femtosecond source
2018 StandoutNobel
Modeling C5H5 with Atoms or Effective Group Potential in Lanthanide Complexes: Isolobality Not the Determining Factor
2002
The ONIOM Method and Its Applications
2015
Redistributed Charge and Dipole Schemes for Combined Quantum Mechanical and Molecular Mechanical Calculations
2005
Characteristic Features of CO2 and CO Adsorptions to Paddle-Wheel-type Porous Coordination Polymer
2017 StandoutNobel
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
Quantum refinement—a combination of quantum chemistry and protein crystallography
2003
Challenges for Density Functional Theory
2011 Standout
Paradynamics: An Effective and Reliable Model for Ab Initio QM/MM Free-Energy Calculations and Related Tasks
2011 StandoutNobel
Elucidating severe urban haze formation in China
2014 StandoutNobel
Efficient silicon surface and cluster modeling using quantum capping potentials
2005
Pseudobond ab initio QM/MM approach and its applications to enzyme reactions
2005
Simple one-electron quantum capping potentials for use in hybrid QM/MM studies of biological molecules
2002
Free Energies of Chemical Reactions in Solution and in Enzymes with Ab Initio Quantum Mechanics/Molecular Mechanics Methods
2008
Self-Consistent Polarization of the Boundary in the Redistributed Charge and Dipole Scheme for Combined Quantum-Mechanical and Molecular-Mechanical Calculations
2007
Directly diode-pumped, Kerr-lens mode-locked, few-cycle Cr:ZnSe\n oscillator
2019 StandoutNobel
Design-atom approach for the quantum mechanical/molecular mechanical covalent boundary: A design-carbon atom with five valence electrons
2007
Simple minimum principle to derive a quantum-mechanical/ molecular-mechanical method
2004
Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free-Energy Surfaces
2013 StandoutNobel
QM/MM: what have we learned, where are we, and where do we go from here?
2006
Exploring, Refining, and Validating the Paradynamics QM/MM Sampling
2012 StandoutNobel
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
Improved pseudobonds for combined ab initio quantum mechanical/molecular mechanical methods
2004
Works of Iván Ortega being referenced
Using ground-based solar and lunar infrared spectroscopy to study the diurnal trend of carbon monoxide in the Mexico City boundary layer
2009
Measurements of diurnal variations and eddy covariance (EC) fluxes of glyoxal in the tropical marine boundary layer: description of the Fast LED-CE-DOAS instrument
2014
Effective Group Potentials. 1. Method
2000