J. Pacansky, R.J. Waltman
Journal of Fluorine Chemistry
Ab initio SCF calculations are reported for the structure of isobutane and the tertiary-butyl radical. The calculation provides valuable information for the structure of the methyl groups in isobutane. For the tertiary-butyl radical, only one minimum is found on the ground state potential energy surface which corresponds to a nonplanar C3v geometry. © 1981 American Institute of Physics.
J. Pacansky, R.J. Waltman
Journal of Fluorine Chemistry
M. Dupuis, J. Pacansky
The Journal of Chemical Physics
J. Pacansky, H. Coufal
The Journal of Chemical Physics
A.D. Alclean, M. Yoshimine
The Journal of Chemical Physics