| 1 |
Investigating the structural and electronic properties of nitrile hydratase model iron(III) complexes using projected unrestricted Hartree-Fock (PUHF) calculations
Boone AJ, Cory MG, Scott MJ, Zerner MC, Richards NGJ
Inorganic Chemistry, 40(8), 1837, 2001 |
| 2 |
Binuclear 1,2,4,5-tetraimino-3,6-diketocyclohexane bis[bis(bipyridine)ruthenium(II)] redox series
Masui H, Freda AL, Zerner MC, Lever ABP
Inorganic Chemistry, 39(1), 141, 2000 |
| 3 |
The electronic structure and spectroscopy of V-2
O'Brien TA, Albert K, Zerner MC
Journal of Chemical Physics, 112(7), 3192, 2000 |
| 4 |
Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution
Canuto S, Coutinho K, Zerner MC
Journal of Chemical Physics, 112(17), 7293, 2000 |
| 5 |
A Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene
Coutinho K, Canuto S, Zerner MC
Journal of Chemical Physics, 112(22), 9874, 2000 |
| 6 |
Ground state isoconfigurational mixing in the V-2, VNb, and Nb-2 molecules
O'Brien TA, Albert K, Zerner MC
Journal of Chemical Physics, 113(6), 2203, 2000 |
| 7 |
Projected unrestricted Hartree-Fock calculations and the magnetism of large nickel clusters
Estiu GL, Cory MG, Zerner MC
Journal of Physical Chemistry A, 104(2), 233, 2000 |
| 8 |
Semiempirical SCF/CI modeling of Ce+3 4f and 5d energy levels in oxygen-doped SrS : Ce
O'Brien TA, Zerner MC, Rack PD, Holloway PH
Journal of the Electrochemical Society, 147(2), 792, 2000 |
| 9 |
Extension of the neglect of diatomic differential overlap method to spectroscopy. NDDO-G parametrization and results for organic molecules
Voityuk AA, Zerner MC, Rosch N
Journal of Physical Chemistry A, 103(23), 4553, 1999 |
| 10 |
A method for characterizing effective pore sizes of catalysts
Webster CE, Drago RS, Zerner MC
Journal of Physical Chemistry B, 103(8), 1242, 1999 |
