Barriers to rotation adjacent to double bonds. 4. Effect of basis set on structures, and of electron correlation on relative energies
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[1] T. Shimanouchi,et al. Electron-diffraction study of rotational isomerism of methyl ethyl ketone , 1969 .
[2] J. D. Cox,et al. Thermochemistry of organic and organometallic compounds , 1970 .
[3] J. Pople,et al. Møller–Plesset theory for atomic ground state energies , 1975 .
[4] S. Fliszar,et al. Charge distributions and chemical effects: Part XV. SCF—Xα—SW studies of alkanes , 1980 .
[5] K B Wiberg,et al. Barriers to rotation adjacent to double bonds. 2. n-Propyl versus isopropyl groups. , 1986, Journal of the American Chemical Society.
[6] Kenneth B. Wiberg,et al. Barriers to rotation adjacent to double bonds. 3. The carbon-oxygen barrier in formic acid, methyl formate, acetic acid, and methyl acetate. The origin of ester and amide resonance , 1987 .
[7] T. Shimanouchi,et al. Skeletal deformation vibrations and rotational isomerism of some ketones and olefins , 1968 .
[8] T. S. Little,et al. Microwave spectrum and conformational stability of isopropyl carboxaldehyde , 1986 .
[9] S. Fliszar,et al. Charge distributions and chemical effects. 14. Molecular energies derived from additivity schemes involving the charges of the bond-forming atoms , 1977 .
[10] W. Todd Wipke,et al. Simulation and evaluation of chemical synthesis. Congestion: a conformation-dependent function of steric environment at a reaction center. Application with torsional terms to stereoselectivity of nucleophilic additions to ketones , 1976 .
[11] D. G. Scroggin,et al. Microwave spectrum and internal rotation potential of propanal , 1974 .
[12] P. C. Hariharan,et al. The effect of d-functions on molecular orbital energies for hydrocarbons , 1972 .
[14] J. Durig,et al. Low frequency vibrational spectra, methyl torsional potential functions, and internal rotational potential of propanal , 1980 .