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2000 – 2009
- 2009
[j8]Wissam Helal
, Stefano Evangelisti, Thierry Leininger, Daniel Maynau:
Ab-initio multireference study of an organic mixed-valence Spiro molecular system. J. Comput. Chem. 30(1): 83-92 (2009)- 2007
- [j7]Benoît Bories, Daniel Maynau, Marie-Laure Bonnet:
Selected excitation for CAS-SDCI calculations. J. Comput. Chem. 28(3): 632-643 (2007) - [j6]Stefano Borini, Antonio Monari, Elda Rossi, Attila Tajti, Celestino Angeli, Gian Luigi Bendazzoli, Renzo Cimiraglia, Andrew P. J. Emerson, Stefano Evangelisti, Daniel Maynau, José Sánchez-Marín, Péter G. Szalay:
FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library. J. Chem. Inf. Model. 47(3): 1271-1277 (2007) - 2006
- [c1]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
- [j5]Stefano Borini, Daniel Maynau, Stefano Evangelisti:
A combined freeze-and-cut strategy for the description of large molecular systems using a localized orbitals approach. J. Comput. Chem. 26(10): 1042-1051 (2005) - [j4]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. J. Comput. Chem. 26(12): 1254-1262 (2005) - 2004
- [j3]José-Vicente Pitarch Ruiz, Stefano Evangelisti, Daniel Maynau:
Local orbitals for excited states. Future Gener. Comput. Syst. 20(5): 821-828 (2004) - 2003
- [j2]José-Vicente Pitarch Ruiz, José Sánchez-Marín, Daniel Maynau:
Vertical spectrum of the C2H2+ system. An open shell (SC)2-CAS-SDCI study. J. Comput. Chem. 24(5): 609-617 (2003) - 2002
- [j1]José-Vicente Pitarch Ruiz, José Sánchez-Marín, Daniel Maynau:
Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way. J. Comput. Chem. 23(12): 1157-1165 (2002)
Coauthor Index
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