| 2009 |
|---|
| 8 | EE | Wissam Helal,
Stefano Evangelisti,
Thierry Leininger,
Daniel Maynau:
Ab-initio multireference study of an organic mixed-valence Spiro molecular system.
Journal of Computational Chemistry 30(1): 83-92 (2009) |
| 2007 |
|---|
| 7 | EE | Benoît Bories,
Daniel Maynau,
Marie-Laure Bonnet:
Selected excitation for CAS-SDCI calculations.
Journal of Computational Chemistry 28(3): 632-643 (2007) |
| 2006 |
|---|
| 6 | EE | Wissam Helal,
Benoît Bories,
Stefano Evangelisti,
Thierry Leininger,
Daniel Maynau:
Ab-Initio Multi-reference Study of a Bistable Spiro Molecule.
ICCSA (1) 2006: 744-751 |
| 2005 |
|---|
| 5 | EE | Stefano Borini,
Daniel Maynau,
Stefano Evangelisti:
A combined freeze-and-cut strategy for the description of large molecular systems using a localized orbitals approach.
Journal of Computational Chemistry 26(10): 1042-1051 (2005) |
| 4 | EE | J. M. Junquera-Hernández,
José-Vicente Pitarch Ruiz,
José Sánchez-Marín,
Stefano Evangelisti,
Daniel Maynau:
Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an example.
Journal of Computational Chemistry 26(12): 1254-1262 (2005) |
| 2004 |
|---|
| 3 | EE | José-Vicente Pitarch Ruiz,
Stefano Evangelisti,
Daniel Maynau:
Local orbitals for excited states.
Future Generation Comp. Syst. 20(5): 821-828 (2004) |
| 2003 |
|---|
| 2 | EE | José-Vicente Pitarch Ruiz,
José Sánchez-Marín,
Daniel Maynau:
Vertical spectrum of the C2H2+ system. An open shell (SC)2-CAS-SDCI study.
Journal of Computational Chemistry 24(5): 609-617 (2003) |
| 2002 |
|---|
| 1 | EE | José-Vicente Pitarch Ruiz,
José Sánchez-Marín,
Daniel Maynau:
Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way.
Journal of Computational Chemistry 23(12): 1157-1165 (2002) |
