| 1 |
Molecular hydrogen encapsulation in spherophanes
Saal A, Jarrosson T, Ouamerali O, Daul CA
Chemical Physics Letters, 480(4-6), 225, 2009 |
| 2 |
Combined ligand field and density functional theory analysis of the magnetic anisotropy in oligonuclear complexes based on Fe-III-CN-M-II exchange-coupled pairs
Atanasov M, Comba P, Daul CA
Inorganic Chemistry, 47(7), 2449, 2008 |
| 3 |
DFT-based studies on the Jahn-Teller effect in 3d hexacyanometalates with orbitally degenerate ground states
Atanasov M, Comba P, Daul CA, Hauser A
Journal of Physical Chemistry A, 111(37), 9145, 2007 |
| 4 |
A DFT based ligand field study of the EPR spectra of Co(II) and Cu(II) porphyrins
Atanasov M, Daul CA, Rohmer MM, Venkatachalam T
Chemical Physics Letters, 427(4-6), 449, 2006 |
| 5 |
DFT studies on the magnetic exchange across the cyanide bridge
Atanasov M, Comba P, Daul CA
Journal of Physical Chemistry A, 110(49), 13332, 2006 |
| 6 |
Hydrogen bond stabilization in Diels-Alder transition states: The cycloaddition of hydroxy-ortho-quinodimethane with fumaric acid and dimethylfumarate
Tamilmani V, Daul CA, Robles JL, Bochet CG, Venuvanalingam P
Chemical Physics Letters, 406(4-6), 355, 2005 |
| 7 |
Electrostatic control on endo/exo selectivity in ionic cycloaddition
Tamilmani V, Daul CA, Venuvanalingam P
Chemical Physics Letters, 416(4-6), 354, 2005 |
| 8 |
New insights into the effects of covalency on the ligand field parameters: a DFT study
Atanasov M, Daul CA, Rauzy C
Chemical Physics Letters, 367(5-6), 737, 2003 |
| 9 |
Experimental study of the second-order non-linear optical properties of tetrathia-[7]-helicene
Clays K, Wostyn K, Persoons A, Stefano MB, Maiorana S, Papagni A, Daul CA, Weber V
Chemical Physics Letters, 372(3-4), 438, 2003 |
| 10 |
A DFT based ligand field model for magnetic exchange coupling in transition metal dimmer complexes: (i) principles
Atanasov M, Daul CA
Chemical Physics Letters, 379(3-4), 209, 2003 |
