A.D. Mclean, M. Yoshimine
The Journal of Chemical Physics
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.
A.D. Mclean, M. Yoshimine
The Journal of Chemical Physics
Sheldon Green, P.S. Bagus, et al.
Physical Review A
B.H. Lengsfield III, A.D. McLean, et al.
The Journal of Chemical Physics
J. Pacansky, R.J. Waltman
Radiation curing