Internal rotation and framework relaxation in ethene thiol

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society · 1979 · 2.1K citations

Engineering, Chemical Analysis, Altmetric Attention Score +17

Electric Dipole Moment of Carbonyl Sulfide

J. S. Muenter · The Journal of Chemical Physics · 1968 · 602 citations

Engineering, Carbonyl Sulfide, Magnetic Resonance +16

Periodic potential functions for pseudorotation and internal rotation

J. D. Lewis, Thomas B. Malloy, Taina H. Chao et al. · Journal of Molecular Structure · 1972 · 376 citations

Physics, Potential Theory, Internal Rotation +2

Vibration—Rotation Interactions and the Choice of Rotating Axes for Polyatomic Molecules

Herbert M. Pickett · The Journal of Chemical Physics · 1972 · 366 citations

Spectral Theory, Vibration—rotation Interactions, Engineering +19

Application of self-consistent-field<i>ab initio</i>calculations to organic molecules

C.E. Blom, C. Altona · Molecular Physics · 1976 · 279 citations

Organic Molecules, Chemical Measurement, Engineering +13