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
Publications
88 results for A.D. Mclean
Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions
- A.D. McLean
- B. Liu
- et al.
- 1984
- The Journal of Chemical Physics
f-Type functions in the orbital basis for calculating molecular interactions involving d electrons Cr2 and Mo2
- A.D. McLean
- B. Liu
- 1983
- Chemical Physics Letters
Correlation effects on cis-trans energy differences in open-shell systems: The hoco radical as an example
- A.D. McLean
- Y. Ellinger
- 1983
- Chemical Physics Letters
Nonrelativistic all electron SCF, MCSCF, and Cl calculations on the AgH, AuH, and Ag2 molecules
- A.D. McLean
- 1983
- The Journal of Chemical Physics
The binding energy of the ground state of Be2
- B.H. Lengsfield III
- A.D. McLean
- et al.
- 1983
- The Journal of Chemical Physics
Relativistic effects on Re and De in AgH and AuH from all-electron Dirac-Hartree-Fock calculations
- Yoon S. Lee
- A.D. McLean
- 1982
- The Journal of Chemical Physics
Roothaan-Hartree-Fock atomic wave functions Slater basis-set expansions for Z = 55-92
- A.D. McLean
- R.S. McLean
- 1981
- Atomic Data and Nuclear Data Tables
The barrier to linearity in the HNCO molecule
- A.D. McLean
- G.H. Loew
- et al.
- 1978
- Journal of Molecular Spectroscopy
Structures and spectra of the isomers HNCO, HOCN, HONC, and HCNO from ab initio quantum mechanical calculations
- A.D McLean
- G.H Loew
- et al.
- 1977
- Journal of Molecular Spectroscopy