Ab initio determination of the proton affinities of small neutral and anionic molecules
- D.J. Defrees
- A.D. McLean
- 1986
- Journal of Computational Chemistry
Publications
23 results for D.J. Defrees
Molecular orbital predictions of the vibrational frequencies of some molecular ions
- D.J. DeFrees
- A.D. McLean
- 1985
- The Journal of Chemical Physics
The quantum mechanical calculation of rotational spectra. A comparison of methods for C2H2, HCN, HNC, HCO+, N 2H+, CO and N2. Predictions for HCNH +, CO+, HBO, HBNH, and HBF+
- D.J. Defrees
- J.S. Binkley
- et al.
- 1984
- The Journal of Chemical Physics