| 1 |
On the Analysis of the Cr-Cr Multiple Bond in Several Classes of Dichromium Compounds
La Macchia G, Manni GL, Todorova TK, Brynda M, Aquilante F, Roos BO, Gagliardi L
Inorganic Chemistry, 49(11), 5216, 2010 |
| 2 |
Reaction Mechanism of Manganese Superoxide Dismutase Studied by Combined Quantum and Molecular Mechanical Calculations and Multiconfigurational Methods
Srnec M, Aquilante F, Ryde U, Rulisek L
Journal of Physical Chemistry B, 113(17), 6074, 2009 |
| 3 |
Calculation of Protein-Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects
Soderhjelm P, Aquilante F, Ryde U
Journal of Physical Chemistry B, 113(32), 11085, 2009 |
| 4 |
Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds
La Macchia G, Aquilante F, Veryazov V, Roos BO, Gagliardi L
Inorganic Chemistry, 47(24), 11455, 2008 |
| 5 |
Quartic scaling evaluation of canonical scaled opposite spin second-order Moller-Plesset correlation energy using Cholesky decompositions
Aquilante F, Pedersen TB
Chemical Physics Letters, 449(4-6), 354, 2007 |
| 6 |
The allyl radical revisited: a theoretical study of the electronic spectrum
Aquilante F, Jensen KP, Roos BO
Chemical Physics Letters, 380(5-6), 689, 2003 |
| 7 |
A theoretical investigation of valence and Rydberg electronic states of acrolein
Aquilante F, Barone V, Roos BO
Journal of Chemical Physics, 119(23), 12323, 2003 |
