Conformational stability for methyl acrylate: a vibrational spectroscopic and ab initio MO study

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

Natural Sciences, Chemistry, Physics +16

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

Natural Sciences, Chemistry, Physics +15

<i>Ab initio</i>calculation of force constants and equilibrium geometries in polyatomic molecules

Péter Pulay · Molecular Physics · 1969 · 2.4K citations

Natural Sciences, Chemistry, Physics +14

Variable Temperature Sample Holder for Raman Spectroscopy

Foil A. Miller, Brian Harney · Applied Spectroscopy · 1970 · 338 citations

Natural Sciences, Materials Science, Physics +10

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

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

Natural Sciences, Chemistry, Physics +12