Near Hartree-Fock calculations on I2 and its positive and negative ions
- A.D. McLean
- O. Gropen
- et al.
- 2008
- The Journal of Chemical Physics
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88 results for A.D. Mclean
The effects of basis set quality and configuration mixing in ab initio calculations of the ionization potentials of the nitrogen molecule
- W.C. Ermler
- A.D. McLean
- 2008
- The Journal of Chemical Physics
HNO+ and NOH+potential energy surfaces for the lowest two electronic states, including the barrier to isomerization
- A.D. McLean
- G.H. Loew
- et al.
- 2006
- Molecular Physics
A theoretical examination of substituent effects on the detoxification reaction between glutathione and halogenated methanes
- Brian T. Luke
- Gilda H. Loew
- et al.
- 2004
- International Journal of Quantum Chemistry
Basis set selections for relativistic self‐consistent field calculations
- Yoon Sup Lee
- Kyoung Koo Baeck
- et al.
- 2004
- Journal of Computational Chemistry
Extended basis-Set LCSTO-MO-SCF calculations on the ground state of carbon dioxide
- A.D. McLean
- 2004
- The Journal of Chemical Physics
SCF-LCAO-MO wave functions for the bifluoride ion
- E. Clementi
- A.D. Mclean
- 2004
- The Journal of Chemical Physics
SCF-LCAO-MO wave function for the1∑g+ ground state of C3 1
- Enkico Clemenh
- A.D. McLean
- 2004
- The Journal of Chemical Physics
Accuracy of computed spectroscopic constants from hartree-fock wavefunctions for diatomic molecules
- A.D. McLean
- 2004
- The Journal of Chemical Physics
Molecular properties which depend on the square of the electronic coordinates; H2 and NNO
- A.D. McLean
- M. Yoshimine
- 2004
- The Journal of Chemical Physics