An ab initio calculation of the rotation-vibration energies of singlet and triplet NH2+ using the morbid Hamiltonian
- Per Jensen
- P.R. bunker
- et al.
- 1987
- Chemical Physics Letters
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88 results for A.D. Mclean
Can the lowest two electronic states of Si2 be ordered?
- H.P. Lüthi
- A.D. McLean
- 1987
- Chemical Physics Letters
A high-precision Ab initio determination of the equilibrium geometry and force field of HOC+
- D.J. DeFrees
- P.R. Bunker
- et al.
- 1987
- Journal of Molecular Spectroscopy
An ab initio calculation of v1 and v3 for triplet methylene (X̃ 3B1 CH2) and the determination of the vibrationless singlet-triplet splitting T e(ã 1A1)
- A.D. McLean
- P.R. Bunker
- et al.
- 1987
- The Journal of Chemical Physics
The singlet-triplet energy separation in silylene
- K. Balasubramanian
- A.D. McLean
- 1986
- The Journal of Chemical Physics
A priori predictions of the rotational constants for protonated formaldehyde and protonated methanol
- D.J. Defrees
- A.D. McLean
- 1986
- Chemical Physics Letters
Ab initio determination of the proton affinities of small neutral and anionic molecules
- D.J. Defrees
- A.D. McLean
- 1986
- Journal of Computational Chemistry
Is N-protonated hydrogen isocyanide, H2NC+, an observable interstellar species?
- D.J. DeFrees
- J.S. Binkley
- et al.
- 1986
- The Journal of Chemical Physics
An AB initio configuration interaction study of cis and trans ground-state hoco radical using localized orbitals: Structural analysis or correlation effects
- A.D. McLean
- Y. Ellinger
- 1985
- Chemical Physics
Symmetry breaking in molecular calculations and the reliable prediction of equilibrium geometries. The formyloxyl radical as an example
- A.D. McLean
- B.H. Lengsfield III
- et al.
- 1985
- The Journal of Chemical Physics