| 1 |
Dioxygen Activation by Mononuclear Copper Enzymes: Insights from a Tripodal Ligand Mimicking Their Cu-M Coordination Sphere
de la Lande A, Salahub D, Moliner V, Gerard H, Piquemal JP, Parisel O
Inorganic Chemistry, 48(15), 7003, 2009 |
| 2 |
An efficient Monte Carlo method for calculating ab initio transition state theory reaction rates in solution
Iftimie R, Salahub D, Schofield J
Journal of Chemical Physics, 119(21), 11285, 2003 |
| 3 |
Solvation of formic acid and proton transfer in hydrated clusters
Wei DQ, Truchon JF, Sirois S, Salahub D
Journal of Chemical Physics, 116(14), 6028, 2002 |
| 4 |
Using a classical potential as an efficient importance function for sampling from an ab initio potential
Iftimie R, Salahub D, Wei DQ, Schofield J
Journal of Chemical Physics, 113(12), 4852, 2000 |
| 5 |
Charge-transfer correction for improved time-dependent local density approximation excited-state potential energy curves: Analysis within the two-level model with illustration for H-2 and LiH
Casida ME, Gutierrez F, Guan JG, Gadea FX, Salahub D, Daudey JP
Journal of Chemical Physics, 113(17), 7062, 2000 |
| 6 |
Binary iron-dinitrogen compounds synthesized by co-deposition of mass-selected Fe, Fe-2, and Fe-3 with N-2
Haslett TL, Fedrigo S, Bosnick K, Moskovits M, Duarte HA, Salahub D
Journal of the American Chemical Society, 122(25), 6039, 2000 |
