Citation Impact
Citing Papers
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Gaussian-Type Functions for Polyatomic Systems. II
1969 Standout
Self-consistent-field wavefunctions for complex molecules. The approximation of partial retention of diatomic differential overlap
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Calculation of the Barrier to Internal Rotation in Ethane
1963 StandoutNobel
Time-dependent photodissociation of methyl iodide with five active modes
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Evolution from Threshold of a Hollow Atom's X-Ray Emission Spectrum: The CuK h α 1 , 2
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1962
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1965 StandoutNobel
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1962 StandoutNobel
Structural and Functional Aspects of Metal Sites in Biology
1996 Standout
Chemical Reactivity as Described by Quantum Chemical Methods
2002
Attosecond physics
2009 StandoutNobel
Iteration methods for calculating self-consistent fields in semiconductor inversion layers
1970
Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms
1970 Standout
Polyatomic SCF Calculations Utilizing Anisotropic Basis Sets of Slater-type Orbitals
1969 StandoutNobel
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1993 Standout
Observation and analysis of the ν3 band of NH+3
1989 StandoutNobel
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2003 Standout
Molecular SCF Calculations for ScH3NH3 and TiH3F
1969 StandoutNobel
Catalytic Effects of Mutations of Distant Protein Residues in Human DNA Polymerase β: Theory and Experiment
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Isotope Effects on 59Co Magnetic Shielding in K3Co(CN)6
1965 StandoutNobel
Molecular SCF Calculations on PH3, PO, PO−, and P2
1967 StandoutNobel
Molecular SCF Calculations for GaF, GaH3, GeH4, AsH3, and H2Se
1970 StandoutNobel
From ultrasoft pseudopotentials to the projector augmented-wave method
1999 Standout
Tunnel and multiphoton ionization of atoms and ions in a strong laser field (Keldysh theory)
2004
Self-Consistent Molecular-Orbital Methods. III. Comparison of Gaussian Expansion and PDDO Methods Using Minimal STO Basis Sets
1969 StandoutNobel
Bimolecular reactions observed by femtosecond detachment to aligned transition states: Inelastic and reactive dynamics
1996 StandoutNobel
Optimized Minimum Basis Set for BH4−
1967 StandoutNobel
Study of Separated Electron Pairs in the LiH Molecule
1965
Coverage dependence of adsorption-site geometry in the Cs/Ru(0001) system: A low-energy electron-diffraction analysis
1992 StandoutNobel
Analytical Expressions for Potentials of Neutral Thomas—Fermi—Dirac Atoms and for the Corresponding Atomic Scattering Factors for X Rays and Electrons
1963
Semiempirical Molecular Orbital Calculations. I. The Electronic Structure of H2O and H2S
1966
Electronic structure of large molecular systems
1966
The molecular Zeeman and hyperfine spectra of LiH and LiD by molecular beam high resolution electric resonance
1975 StandoutNobel
Approximate Self-Consistent Molecular-Orbital Theory. VI. INDO Calculated Equilibrium Geometries
1968 StandoutNobel
Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids
1997
Calculation of Molecular Properties with Limited-Basis Hartree—Fock Functions
1963
Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule
1963 StandoutNobel
One-Electron Properties of Ammonia Computed from Near-Hartree—Fock Wavefunctions
1972 StandoutNobel
Molecular SCF Calculations for SiH4 and H2S
1969 StandoutNobel
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
d Orbits of Sulfur
1964
Vacancy-oxygen complexes and their optical properties in AlN epitaxial films studied by positron annihilation
2009 StandoutNobel
Calculation of Electron Scattering Factors. I. Nonrelativistic Theory
1964 StandoutNobel
Atomic Screening Constants from SCF Functions
1963 Standout
GRASP: A general-purpose relativistic atomic structure program
1989
Solution of the Hartree–Fock equations for polyatomic molecules by a pseudospectral method
1987
Optimized Minimum-Basis-Set SCF Calculations on BH3 and B2H6
1966 StandoutNobel
Self-interaction correction to density-functional approximations for many-electron systems
1981 Standout
Magnetic Properties of the Li2 Molecule
1965 StandoutNobel
High-Efficiency Perovskite Solar Cells
2020 Standout
Perturbed Hartree—Fock Calculations. III. Polarizability and Magnetic Properties of the HF Molecule
1964 StandoutNobel
Paramagnetic Defects in Irradiated NH4ClO4
1961
Nuclear Magnetic Shielding in Molecules: Hydrogen Molecule
1960
Hartree—Fock—Slater Wavefunctions and Magnetic Properties of Rare-Gas Atoms
1965
Wideline NMR studies of ammonia intercalation complexes. I. TaS2 (NH3) and TiS2 (NH3)
1976 StandoutNobel
Extended Hückel Theory. IV. Carbonium Ions
1964 StandoutNobel
A Quantum Mechanical Investigation of Possible Mechanisms for the Nucleotidyl Transfer Reaction Catalyzed by DNA Polymerase β
2007
Optics in the relativistic regime
2006 StandoutNobel
Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons
1963
Temperature and Pressure Dependence of the Co59 Nuclear Resonance Chemical Shift
1963
Calculation of Magnetic Susceptibility and Proton Shielding in Methane
1967 StandoutNobel
Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals
1969 StandoutNobel
A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions
1973
Electronic properties of two-dimensional systems
1982 Standout
Relativistic self-consistent field program for atoms and ions
1971
Perturbed Hartree—Fock Calculations. II. Further Results for Diatomic Lithium Hydride
1964 StandoutNobel
Works of E.H. Bareiss being referenced
The Calculation of Atomic Structures
1960