Citation Impact
Citing Papers
IUPAC-IUB commission on biochemical nomenclature. Symbols for amino-acid derivatives and peptides. Recommendations (1971)
1972
Turns in Peptides and Proteins
1985 Standout
Multiwfn: A multifunctional wavefunction analyzer
2011 Standout
A Bond Path: A Universal Indicator of Bonded Interactions
1998 Standout
Formation of the chemical bond and orbital contraction
1982
Outer Shape of Molecules as Probed by Ground-State Atoms from H to Ar
1997
Steric effect: A quantitative description from density functional theory
2007
Explicit estimation of ground-state kinetic energies from electron densities
1986
Some exact results for a trapped quantum gas at finite temperature
2003 StandoutNobel
Random-walk approach to mapping nodal regions of N-body wave functions: Ground-state Hartree–Fock wave functions for Li–C
1992
Naming of substituted histamines
1974 StandoutNobel
Comparison of models to correlate electron density at the bond critical point and bond distance
2000
Contribution to the electron distribution analysis. I. Shell structure of atoms
1991
Systematic Parametrization of Polarizable Force Fields from Quantum Chemistry Data
2012
Thomas-fermi and related theories of atoms and molecules
1981
Samuel Francis Boys
1996 StandoutNobel
Challenges for Density Functional Theory
2011 Standout
A study of short-range repulsions
1982
The General Utility Lattice Program (GULP )
2003 Standout
Conceptual Density Functional Theory
2003 Standout
Bound states in the one-dimensional two-particle Hubbard model with an impurity
2013
Solid-Phase Synthesis of Bicyclic Dipeptide Mimetics by Intramolecular Cyclization of Alcohols, Thiols, Amines, and Amides with N-Acyliminium Intermediates
2005 StandoutNobel
Bound states in the continuum
2016 Standout
Aluminum(I ) and Gallium(I ) Compounds: Syntheses, Structures, and Reactions
1996
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
1988 Standout
Comparative study of the PBE and SCAN functionals: The particular case of alkali metals
2019
WIEN2k: An APW+lo program for calculating the properties of solids
2020 Standout
Density functionals for coulomb systems
1983
A simple measure of electron localization in atomic and molecular systems
1990 Standout
Bioactive Conformation of Luteinizing Hormone-Releasing Hormone: Evidence from a Conformationally Constrained Analog
1980 Science
The wavelet transform, time-frequency localization and signal analysis
1990 Standout
Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy
2007
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
2017 Standout
The density functional formalism, its applications and prospects
1989 Standout
Density-functional theory calculations with correct long-range potentials
2003
Exact differential equation for the density and ionization energy of a many-particle system
1984
Determination of the electron localization function from electron density
2002
Deformations of density functions in molecular quantum chemistry
1996
Quantum Monte Carlo simulations of solids
2001 Standout
Density per particle as a descriptor of Coulombic systems
2000
Asymptotic behavior of the ground-state charge density in atoms
1978
Coming to Grips with N−H···N Bonds. 1. Distance Relationships and Electron Density at the Bond Critical Point
2001
The Combinatorial Synthesis of Bicyclic Privileged Structures or Privileged Substructures
2003 Standout
Various functionals for the kinetic energy density of an atom or molecule
1986
Fine tuning of the band gap in conjugated polymers via control of block copolymer sequences
1992 StandoutNobel
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Understanding the Dynamics Behind the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor
2010 StandoutNobel
Self-interaction correction to density-functional approximations for many-electron systems
1981 Standout
Electrostatic potential–electronic density relationships in atoms
1980
Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors
2000 Standout
Density Functionals with Broad Applicability in Chemistry
2008 Standout
π-Bonding and the Lone Pair Effect in Multiple Bonds between Heavier Main Group Elements
1999 Standout
Analytic energy gradients of the optimized effective potential method
2005
A computational fluid mechanics solution to the Monge-Kantorovich mass transfer problem
2000 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
2011 Standout
A topological theory of molecular structure
1981
From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving X–H⋯F–Y systems
2002 Standout
Graphene: New bridge between condensed matter physics and quantum electrodynamics
2007 StandoutNobel
Generalized Kohn-Sham schemes and the band-gap problem
1996 Standout
Combined Covalent-Electrostatic Model of Hydrogen Bonding Improves Structure Prediction with Rosetta
2015 StandoutNobel
The Laplacian of the charge density and its relationship to the shell structure of atoms and ions
1988
The History and Evolution of Gaussian Basis Sets
1993
A long-range-corrected time-dependent density functional theory
2004 Standout
Discontinuity of the exchange-correlation potential: Support for assumptions used to find it
2008
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
1998 Standout
Modified van der Waals atomic radii for hydrogen bonding based on electron density topology
2006
ALGEBRAIC EQUATION AND ITERATIVE OPTIMIZATION FOR THE OPTIMIZED EFFECTIVE POTENTIAL IN DENSITY FUNCTIONAL THEORY
2003
Works of Thomas Hoffmann-Ostenhof being referenced
Symbols for Amino-Acid Derivatives and Peptides
1974
Bounds for the long-range behavior of electronic wavefunctions
1978
A multiparticle Coulomb system with bound state at threshold
1983
"Schrödinger inequalities" and asymptotic behavior of the electron density of atoms and molecules
1977
Bounds to expectation values and exponentially decreasing upper bounds to the one-electron density of atoms
1978
"Schrödinger inequalities" and asymptotic behavior of many-electron densities
1978
On the asymptotics of nodes ofL 2-solutions of Schr�dinger equations in dimensions ? 3
1988
A comparison theorem for differential inequalities with applications in quantum mechanics
1980
Simple bounds to the atomic one-electron density at the nucleus and to expectation values of one-electron operators
1978
Bounds on the decay of electron densities with screening
1981