| 1 |
Chemical reactivity and excited-state density functional theory
Chattaraj PK, Poddar A
Journal of Physical Chemistry A, 103(9), 1274, 1999 |
| 2 |
A density functional treatment of chemical reactivity and the associated electronic structure principles in the excited electronic states
Chattaraj PK, Poddar A
Journal of Physical Chemistry A, 102(48), 9944, 1998 |
| 3 |
Density-Functional Study of the Primary Photoprocesses of Manganese Pentacarbonyl Chloride (MnCl(Co)(5))
Wilms MP, Baerends EJ, Rosa A, Stufkens DJ
Inorganic Chemistry, 36(8), 1541, 1997 |
| 4 |
Density-Functional Study of the Photodissociation of Mn-2(Co)(10)
Rosa A, Ricciardi G, Baerends EJ, Stufkens DJ
Inorganic Chemistry, 35(10), 2886, 1996 |
| 5 |
Density-Functional Theory of Electronic-Structure
Kohn W, Becke AD, Parr RG
Journal of Physical Chemistry, 100(31), 12974, 1996 |
| 6 |
Metal-to-Ligand Charge-Transfer (MLCT) Photochemistry of Fac-Mn(Cl)(Co)(3)(H-Dab) - A Density-Functional Study
Rosa A, Ricciardi G, Baerends EJ, Stufkens DJ
Journal of Physical Chemistry, 100(38), 15346, 1996 |
| 7 |
H2O Photodissociation Dynamics Based on Potential-Energy Surfaces from Density-Functional Calculations
Doublet ML, Kroes GJ, Baerends EJ, Rosa A
Journal of Chemical Physics, 103(7), 2538, 1995 |
