A.D. McLean, B.H. Lengsfield III, et al.
The Journal of Chemical Physics
Extensive ab initio calculations for the vibrational frequencies and infrared intensities are reported for the optimized geometries of some primary alkyl radicals, CH3(CH2)nCH2•, for n = 1-6. These are compared with experimental infrared spectra for the authentic radicals for n = 1-3. The theoretical calculations together with experimental data are used to assign the characteristic absorption bands of the experimental vibrational spectra. © 1996 American Chemical Society.
A.D. McLean, B.H. Lengsfield III, et al.
The Journal of Chemical Physics
J. Pacansky, R.J. Waltman, et al.
Symposium on Molecular Modeling of Petroleum Processes and Catalysis 1992
J. Pacansky, R.J. Waltman, et al.
Journal of Physical Chemistry
J. Pacansky, R.J. Waltman
Journal of Physical Chemistry