Phillip A. Christiansen
Affiliations: | Chemistry & Biomolecular Science | Clarkson University, Potsdam, NY, United States |
Area:
computational chemistryWebsite:
http://www.clarkson.edu/biosci_chemistry/faculty_pages/christiansen.htmlGoogle:
"Phillip A Christiansen"Bio:
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Parents
Sign in to add mentor| William England Palke | grad student | 1976 | UC Santa Barbara | |
| (The development of methods to evaluate the effects of the Pauli Principle on barriers to internal rotation.) | ||||
Children
Sign in to add trainee| Scott A. Wildman | grad student | 1994-1996 | Clarkson University |
| Gino A. DiLabio | grad student | 1993-1997 | Clarkson University (Astronomy Tree) |
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Publications
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| Moon S, Christiansen PA, DiLabio GA. (2004) Quantum capping potentials with point charges: a simple QM/MM approach for the calculation of large-molecule NMR shielding tensors. The Journal of Chemical Physics. 120: 9080-6 |
| DiLabio GA, Hurley MM, Christiansen PA. (2002) Simple one-electron quantum capping potentials for use in hybrid QM/MM studies of biological molecules Journal of Chemical Physics. 116: 9578-9584 |
| Christiansen PA. (2000) Basis sets in correlated effective potential calculations Journal of Chemical Physics. 112: 10070-10074 |
| DiLabio GA, Christiansen PA. (1998) Separability of spin-orbit correlation energies for the sixth-row main group hydride ground states Journal of Chemical Physics. 108: 7527-7533 |
| Wildman SA, DiLabio GA, Christiansen PA. (1997) Accurate relativistic effective potentials for the sixth-row main group elements Journal of Chemical Physics. 107: 9975-9979 |
| DiLabio G, Christiansen P. (1997) Low-lying 0+ states of bismuth hydride Chemical Physics Letters. 277: 473-477 |
| Ross RB, Powers JM, Atashroo T, et al. (1994) Erratum: Ab initio relativistic effective potentials with spin–orbit operators. IV. Cs through Rn [J. Chem. Phys. 93, 6654 (1990)] The Journal of Chemical Physics. 101: 10198-10198 |
| Lao M, Christiansen PA. (1992) Relativistic effective potential quantum Monte Carlo simulations for Ne Journal of Chemical Physics. 96: 2161-2163 |
| Ermler WC, Ross RB, Christiansen PA. (1991) Ab initio relativistic effective potentials with spin‐orbit operators. VI. Fr through Pu International Journal of Quantum Chemistry. 40: 829-846 |
| Ross RB, Powers JM, Atashroo T, et al. (1990) Ab initio relativistic effective potentials with spin-orbit operators. IV. Cs through Rn The Journal of Chemical Physics. 93: 6654-6670 |