Citation Impact
Citing Papers
Gas-responsive porous magnet distinguishes the electron spin of molecular oxygen
2018 StandoutNobel
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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Accurate Coulomb-fitting basis sets for H to Rn
2006 Standout
Processes controlling the distribution and natural attenuation of dissolved phenolic compounds in a deep sandstone aquifer
2001 StandoutNobel
Functional Porous Coordination Polymers
2004 StandoutNobel
Effect of the damping function in dispersion corrected density functional theory
2011 Standout
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
2003 Standout
Rationale for mixing exact exchange with density functional approximations
1996 Standout
Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies
2003 Standout
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
2004 Standout
A new mixing of Hartree–Fock and local density-functional theories
1993 Standout
A Tripodal Molecule on a Gold Surface: Orientation-Dependent Coupling and Electronic Properties of the Molecular Legs
2013 StandoutNobel
Metal-insulator transitions
1998 Standout
Conduction mechanisms in biphenyl dithiol single-molecule junctions
2012 StandoutNobel
Ground-state properties of third-row elements with nonlocal density functionals
1989
Copper Active Sites in Biology
2014 Standout
Ab initiostudy of the thermopower of biphenyl-based single-molecule junctions
2012 StandoutNobel
New Generation Adsorbents for Water Treatment
2012 Standout
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
1998 Standout
Regional strategies for the accelerating global problem of groundwater depletion
2012
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
1986 Standout
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
2006 Standout
Challenges for Density Functional Theory
2011 Standout
Physical and virtual water transfers for regional water stress alleviation in China
2015 Standout
The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets
1992 StandoutNobel
Pseudopotentials for non-local-density functionals
1991
Density-functional thermochemistry. I. The effect of the exchange-only gradient correction
1992 Standout
Semiempirical hybrid density functional with perturbative second-order correlation
2006 Standout
Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
1992 Standout
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
1988 Standout
Relativistic total energy using regular approximations
1994 Standout
Comments on the metal surface from a simple analytic model
1980
Chemistry with ADF
2001 Standout
Accurate and simple analytic representation of the electron-gas correlation energy
1992 Standout
Density-Functional Theory of the Energy Gap
1983 Standout
The performance of a family of density functional methods
1993 StandoutNobel
Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts
2009 StandoutNobel
The density functional formalism, its applications and prospects
1989 Standout
Magnetism of solid oxygen
1981
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Adiabatic time-dependent density functional methods for excited state properties
2002 Standout
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
1992 Standout
Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
1996 Standout
Inhomogeneity corrections to the ground-state properties of itinerant ferromagnets
1977
Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities
1998 StandoutNobel
Corrections to the Local Density Approximation: Gradient Expansion versus Wave-Vector Analysis for the Metallic Surface Problem
1977
Exchange and correlation energy in a nonuniform fermion fluid
1986
Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction
1992 Standout
A comparative study of density functional models to estimate molecular atomization energies
1990
Generalized Gradient Approximation Made Simple
1996 Standout
Density-functional thermochemistry. IV. A new dynamical correlation functional and implications for exact-exchange mixing
1996 Standout
Exact electron-gas response functions at high density
1987
Remediation of Cr(VI) and Pb(II) Aqueous Solutions Using Supported, Nanoscale Zero-valent Iron
2000 Standout
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
1997 StandoutNobel
Using the Constrained DFT Approach in Generating Diabatic Surfaces and Off Diagonal Empirical Valence Bond Terms for Modeling Reactions in Condensed Phases
2006 StandoutNobel
Easily Implementable Nonlocal Exchange-Correlation Energy Functional
1981
Experiments on random-ordering field critical behavior in dilute antiferromagnets (invited)
1981 StandoutNobel
Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
1989 Standout
Ferromagnetic behavior of carbon nanospheres encapsulating silver nanoparticles
2006 StandoutNobel
Néel temperature inFe x Zn 1 − x F 2
1978
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
1996 Standout
Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
2005 Standout
Works of John F. Devlin being referenced
Migration and natural fate of a coal tar creosote plume
1999
Kinetics of Nitroaromatic Reduction on Granular Iron in Recirculating Batch Experiments
1998
Effect of Crystal-Field Anisotropy on Magnetically Ordered Systems
1971
The persistence of the water budget myth and its relationship to sustainability
2004
Effect of velocity-dependent screening on the form factors for transport properties
1976