Daniel Maynau

Publication Activity (10 Years)

Years Active: 2002-2009
Publications (10 Years): 0

Publications

Wissam Helal, Stefano Evangelisti, Thierry Leininger, Daniel Maynau
multireference study of an organic mixed-valence Spiro molecular system. J. Comput. Chem. 30 (1) (2009)
Benoît Bories, Daniel Maynau, Marie-Laure Bonnet
Selected excitation for CAS-SDCI calculations. J. Comput. Chem. 28 (3) (2007)
Stefano Borini, Antonio Monari, Elda Rossi, Attila Tajti, Celestino Angeli, Gian Luigi Bendazzoli, Renzo Cimiraglia, Andrew Emerson, Stefano Evangelisti, Daniel Maynau, José Sánchez-Marín, Péter Szalay
FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library. J. Chem. Inf. Model. 47 (3) (2007)
Wissam Helal, Benoît Bories, Stefano Evangelisti, Thierry Leininger, Daniel Maynau
Ab-Initio Multi-reference Study of a Bistable Spiro Molecule. ICCSA (1) (2006)
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) (2005)
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) (2005)
José-Vicente Pitarch Ruiz, Stefano Evangelisti, Daniel Maynau
Local orbitals for excited states. Future Gener. Comput. Syst. 20 (5) (2004)
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) (2003)
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) (2002)