Ab initio calculation of cis-trans isomerization in glyoxal

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

1966 • 432 citations

Origin of Rotational Barriers. I. Many-Electron Molecular Orbital Wavefunctions for Ethane, Methyl Alcohol, and Hydrogen Peroxide

1967 • 189 citations

Microwave Spectrum and Molecular Structure of trans-Acrolein

1966 • 174 citations

The Interaction of Nonbonding Orbitals in Carbonyls

1970 • 93 citations

Internal Rotation Barriers for Hydrazine and Hydroxylamine from Ab Initio LCAO—MO—SCF Wavefunctions

1967 • 90 citations

Interpretation of Nuclear Quadrupole Coupling in Nitrogen Containing Molecules with Ab Initio Molecular-Orbital Wavefunctions

1968 • 87 citations

Theoretical Study of the Rotational Barriers of Allene, Ethylene, and Related Systems

1968 • 62 citations

Origin of Rotational Barriers. II. Methylamine and Improved Wavefunctions for Hydrogen Peroxide

1967 • 59 citations

Wechselwirkung zwischen den Orbitalen „einsamer” Elektronenpaare in Dicarbonylen

1971 • 53 citations

Some One-Electron Properties of H2O and NH3

1967 • 52 citations

The Molecular Structures of Glyoxal and Dimethylglyoxal by the Electron Diffraction Method

1939 • 52 citations

Die optische Aktivität von chiralen Dienen, Enonen und α-Diketonen

1971 • 51 citations

Distortional effects on the internal rotation in hydrogen peroxyde

1969 • 48 citations

Molecular orbital calculations of rotational strengths: A study of skewed diketones

1970 • 41 citations

Electron impact studies. Part 4.—Glyoxal, methylglyoxal, and diacetyl

1958 • 36 citations

On the Gaussian-Lobe Representation of Atomic Orbitals

1967 • 36 citations

Semi-Empirical SCF MO Treatment for Valence Electron Systems. Electronic Structures of trans- and cis-Isomers of Butadiene, Acrolein, and Glyoxal

1967 • 36 citations

Rotational Barriers in Hydrogen Peroxide

1971 • 28 citations

Vibration-rotation bands of some polyatomic molecules

1949 • 25 citations

Properties of pyridine and pyrazine from ab initio molecular orbital wave functions

1973 • 16 citations

Theoretical study of the barriers to internal rotation in nitrous acid

1970 • 16 citations

Ab Initio Calculations of Electric Field Gradients in H3N and H3N ··· H+: Relation to the Solid-State Shift

1969 • 14 citations

The Interaction of Non‐bonding Orbitals in Dicarbonyls: Ab Initio Results on Glyoxal

1971 • 13 citations