Ab Initio Calculation of H2NO Geometry and Hyperfine Splittings

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Infrared and Raman Spectra of Polyatomic Molecules.

1946 • 3,247 citations

Self-Consistent Orbitals for Radicals

1954 • 1,548 citations

Single determinant wave functions

1961 • 633 citations

�ber die magnetischen Momente der Atomkerne

1930 • 625 citations

The electronic absorption spectra of NH₂and ND₂

1959 • 377 citations

Improved Quantum Theory of Many-Electron Systems. II. The Basic Method

1967 • 265 citations

Improved Quantum Theory of Many-Electron Systems. I. Construction of Eigenfunctions of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mover><mml:mrow><mml:mi>S</mml:mi></mml:mrow><mml:mrow><mml:mi>^</mml:mi></mml:mrow></mml:mover><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>Which Satisfy Pauli's Principle

1967 • 237 citations

Unrestricted Hartree—Fock Calculations. I. An Improved Method of Computing Spin Properties

1964 • 237 citations

THE SPECTRUM AND STRUCTURE OF THE HNO MOLECULE

1958 • 236 citations

Natural Expansion of the First‐Order Density Matrix for a Spin‐Projected Single Determinant

1964 • 162 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. II. HCHO, CO

1969 • 157 citations

Paramagnetic Resonance of Alkyl Nitroxides

1966 • 118 citations

Geometry of Molecules. I. Wavefunctions for Some Six- and Eight-Electron Polyhydrides

1966 • 116 citations

THE NATURE OF FORMALDEHYDE IN ITS LOW-LYING EXCITED STATES

1958 • 107 citations

Near-ultra-violet spectrum of propenal

1963 • 105 citations

Improved Quantum Theory of Many-Electron Systems. III. The GF Method

1968 • 102 citations

Calculations on the ions and lowest π triplet states of some conjugated hydrocarbons

1962 • 83 citations

The Unrestricted Hartree-Fock Method

1961 • 81 citations

Hyperfine Splitting of the Lithium Ground State

1960 • 78 citations

Solvent Effects on Hyperfine Coupling Constants in Electron Paramagnetic Resonance Spectra

1964 • 76 citations

THE IDENTIFICATION OF RADICAL PRODUCTS FROM THE OXIDATION OF DIPHENYLAMINE

1960 • 70 citations

Calculation of Fermi Contact Hyperfine Splitting for Small Atoms and Molecules

1969 • 66 citations

Spin-Projected and Extended SCF Calculations

1967 • 64 citations

Wavefunctions and Correlation Energies for Two-, Three-, and Four-Electron Atoms

1968 • 64 citations

Calculation of the Magnetic Hyperfine Constant of the Nitrogen Atom

1961 • 62 citations

Magnetic Hyperfine Structure of Lithium, Using an Approximate Projected Hartree-Fock Method

1968 • 56 citations

Vaporization Processes Involving Sulfur

1964 • 53 citations

The structure of the free radical di-p-anisyl nitric oxide

1953 • 53 citations

Second-Order Density Matrix for a Spin-Projected Single Determinant

1967 • 53 citations

Electron Paramagnetic Resonance Studies of Unstable Free Radicals in the Reaction of t-Butyl Hydroperoxides and Alkylamines

1961 • 52 citations

Investigations on the Unrestricted Hartree–Fock Method as a Tool for Computing Potential Surfaces

1970 • 49 citations

Improved Quantum Theory of Many-Electron Systems. IV. Properties of GF Wavefunctions

1968 • 44 citations

Calculation of Atomic Hyperfine Structure Constants from Projected Unrestricted Hartree-Fock Functions. Constants ofF19

1963 • 33 citations

Electron Spin Resonance in Free Radicals Derived from Diarylamines

1956 • 32 citations

Nonempirical Calculations of the Isotropic Hyperfine Splitting Constants of 13C, 14N, and 17O in Simple Radicals

1967 • 30 citations

Configuration-Interaction Wavefunctions for Small Pi Systems

1969 • 29 citations

Molecular Orbital Treatment of Nitric Oxide Radicals. I. Electronic Structure and Spectrum of the H₂NO Radical

1969 • 29 citations

An INDO-molecular orbital study of vibronic effects in isotopically substituted methyl radicals

1968 • 23 citations

An Improved Method of Calculating Spin Properties from Spin-Polarized Wave Functions

1964 • 22 citations

The unrestricted Hartree-Fock method

1963 • 20 citations

Spin densities in some odd alternant radicals including linear polyene radicals

1966 • 14 citations