Theoretical Analysis of the Effects of Hydrogenation in Hydrocarbons: Accurate SCF MO Wavefunctions for C2H2, C2H4, and C2H6

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions

1966 • 459 citations

Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene

1966 • 432 citations

Analytic Self-Consistent Field Wavefunctions and Computed Properties for Homonuclear Diatomic Molecules

1964 • 226 citations

Gaussian Expansion of Hydrogen-Atom Wavefunctions

1963 • 201 citations

Calculation of the Barrier to Internal Rotation in Ethane

1963 • 185 citations

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

1966 • 116 citations

Geometry of Molecules. III. F2O, Li2O, FOH, LiOH

1966 • 94 citations

LCAO-MO-SCF Ground State Calculations on C2H2 and CO2

1960 • 93 citations

Geometry of Molecules. II. Diborane and Ethane

1966 • 51 citations

Correlation Energy of Ethylene and Acetylene

1965 • 33 citations

SCF LCAO Study of Linear and Bent Acetylene

1961 • 18 citations

Ein neues Programm zur quantentheoretischen Berechnung von Molekülen und Atomsystemen

1964 • 17 citations

Relations between length, order, and force constant for C-C bonds

1966 • 1 citations

Deleted Work

1955 • 0 citations