 | 2009 |
|---|
| 5 |       | Ahmed Dkhissi,
Jean Marie Ducéré,
Ralf Blossey,
Claude Pouchan:
Can the hybrid meta GGA and DFT-D methods describe the stacking interactions in conjugated polymers?
Journal of Computational Chemistry 30(8): 1179-1184 (2009) |
| 2007 |
|---|
| 4 | | Didier Bégué,
Claude Pouchan:
Vibrational anharmonic calculations in solution: Performance of various DFT approaches.
Journal of Computational Chemistry 28(8): 1456-1462 (2007) |
| 2005 |
|---|
| 3 | | Philippe Carbonniere,
Tecla Lucca,
Claude Pouchan,
Nadia Rega,
Vincenzo Barone:
Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules.
Journal of Computational Chemistry 26(4): 384-388 (2005) |
| 2 | | Neil Gohaud,
Didier Bégué,
Clovis Darrigan,
Claude Pouchan:
New parallel software (P_Anhar) for anharmonic vibrational calculations: Application to (CH3Li)2.
Journal of Computational Chemistry 26(7): 743-754 (2005) |
| 2001 |
|---|
| 1 | | Didier Bégué,
Claude Pouchan:
Density functional finite cluster method for polarizability of large BeN three-dimensional systems.
Journal of Computational Chemistry 22(2): 230-240 (2001) |
