Concepedia

A theoretical study of conformations and rotational barriers in dihydroxybenzenes

Claudio Puebla, Tae‐Kyu Ha

Journal of Molecular Structure THEOCHEM · 1990 · 62 citations · 12 references

DOI

Concepts

References

12

The influence of polarization functions on molecular orbital hydrogenation energies

P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations

, , +14

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

, , +15

Microwave spectra of the six mono-13C-substituted phenols and of some monodeuterated species of phenol. Complete substitution structure and absolute dipole moment

N.W. Larsen · Journal of Molecular Structure · 1979 · 194 citations

, , +7

Microwave spectra of the six monodeuteriophenols. Molecular structure, dipole moment, and barrier to internal rotation of phenol

Thorvald Pedersen, N.W. Larsen, Lise Nygaard · Journal of Molecular Structure · 1969 · 151 citations

, , +9

Far-infrared gas spectra of phenol, 4-fluorophenol, thiophenol and some deuterated species: barrier to internal rotation

N.W. Larsen, F.M. Nicolaisen · Journal of Molecular Structure · 1974 · 126 citations

, , +11