| 1 |
Fourteen-Electron Ring Model and the Anomalous Magnetic Circular Dichroism of meso-Triarylsubporphyrins
Vancoillie S, Hendrickx M, Nguyen MT, Pierloot K, Ceulemans A, Mack J, Kobayashi N
Journal of Physical Chemistry A, 116(15), 3960, 2012 |
| 2 |
Copper Corroles: the Question of Noninnocence
Pierloot K, Zhao HL, Vancoillie S
Inorganic Chemistry, 49(22), 10316, 2010 |
| 3 |
Multireference Ab Initio Calculations of g tensors for Trinuclear Copper Clusters in Multicopper Oxidases
Vancoillie S, Chalupsky J, Ryde U, Solomon EI, Pierloot K, Neese F, Rulisek L
Journal of Physical Chemistry B, 114(22), 7692, 2010 |
| 4 |
Theoretical Description of the Structure and Magnetic Properties of Nitroxide-Cu(II)-Nitroxide Spin Triads by Means of Multiconfigurational Ab Initio Calculations
Vancoillie S, Rulisek L, Neese F, Pierloot K
Journal of Physical Chemistry A, 113(21), 6149, 2009 |
| 5 |
Multiconfigurational g tensor calculations as a probe for the covalency of the copper-ligand bonds in copper(II) complexes: [CuCl4](2-), [Cu(NH3)(4)](2+), and plastocyanin
Vancoillie S, Pierloot K
Journal of Physical Chemistry A, 112(17), 4011, 2008 |
