The molecular conformation of methyl methacrylate — an infrared and ab initio study

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

Natural Sciences, Chemistry, Physics +11

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

Péter Pulay, Géza Fogarasi, Gábor Pongor et al. · Journal of the American Chemical Society · 1983 · 1.6K citations

Natural Sciences, Chemistry, Physics +17

Molecular structure and conformation of carboxylic esters

GERAINT I. L. JONES, Noel L. Owen · Journal of Molecular Structure · 1973 · 149 citations

Natural Sciences, Biochemistry, Chemistry +14

The vibrational spectra of acrylic acid and sodium acrylate

W. R. Feairheller, J. E. Katon · Spectrochimica Acta Part A Molecular Spectroscopy · 1967 · 108 citations

Natural Sciences, Chemistry, Materials Science +14

Spectroscopic studies of some substituted methyl formates. Part 1.—Microwave spectra and internal rotation barriers of methyl-fluoroformate, -propiolate, -cyanoformate, -acrylate and -acetate

Gwion Williams, Noel L. Owen, John Sheridan · Transactions of the Faraday Society · 1971 · 92 citations

Natural Sciences, Chemistry, Organic Chemistry +15