Prediction of vibrational spectra by the CNDO/2 force method

<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

Average structures of butadiene, acrolein, and glyoxal determined by gas electron diffraction and spectroscopy

Kozo Kuchttsu, Tsutomu Fükuyama, Yonezo Morino · Journal of Molecular Structure · 1968 · 408 citations

Natural Sciences, Chemistry, Materials Science +14

Vibrational assignments for glyoxal, acrolein and butadiene

Robin K. Harris · Spectrochimica Acta · 1964 · 125 citations

Natural Sciences, Chemistry, Physics +10

The Rate of Reaction of Maleic Anhydride with 1,3-Dienes as Related to Diene Conformation

D. P. Craig, J. J. Shipman, Ray B. Fowler · Journal of the American Chemical Society · 1961 · 119 citations

Natural Sciences, Chemistry, Analytical Chemistry +8

The 4875 Å Band System of <i>cis</i> Glyoxal

G. N. Currie, D. A. Ramsay · Canadian Journal of Physics · 1971 · 118 citations

Natural Sciences, Biochemistry, Chemistry +6