Molecular orbital predictions of the vibrational frequencies of some molecular ions
- D.J. DeFrees
- A.D. McLean
- 1985
- The Journal of Chemical Physics
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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
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
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
The binding energy of the ground state of Be2
- B.H. Lengsfield III
- A.D. McLean
- et al.
- 1983
- The Journal of Chemical Physics
Nonrelativistic all electron SCF, MCSCF, and Cl calculations on the AgH, AuH, and Ag2 molecules
- A.D. McLean
- 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