| 1 |
Quantum capping potentials with point charges: A simple QM/MM approach for the calculation of large-molecule NMR shielding tensors
Moon S, Christiansen PA, DiLabio GA
Journal of Chemical Physics, 120(19), 9080, 2004 |
| 2 |
Simple one-electron quantum capping potentials for use in hybrid QM/MM studies of biological molecules
DiLabio GA, Hurley MM, Christiansen PA
Journal of Chemical Physics, 116(22), 9578, 2002 |
| 3 |
Basis sets in correlated effective potential calculations
Christiansen PA
Journal of Chemical Physics, 112(23), 10070, 2000 |
| 4 |
Potential curves for the Mg+Rn complex including charge-transfer states
Christiansen PA, Moffett TM, DiLabio GA
Journal of Physical Chemistry A, 103(44), 8875, 1999 |
| 5 |
Separability of spin-orbit and correlation energies for the sixth-row main group hydride ground states
DiLabio GA, Christiansen PA
Journal of Chemical Physics, 108(18), 7527, 1998 |
| 6 |
Accurate relativistic effective potentials for the sixth-row main group elements
Wildman SA, DiLabio GA, Christiansen PA
Journal of Chemical Physics, 107(23), 9975, 1997 |
| 7 |
Ab-Initio Relativistic Effective Potentials with Spin-Orbit Operators .4. Cs Through RN (Vol 93, Pg 6654, 1990)
Ross RB, Powers JM, Atashroo T, Ermler WC, Lajohn LA, Christiansen PA
Journal of Chemical Physics, 101(11), 10198, 1994 |
