Daniel Maynau

According to our database1, Daniel Maynau authored at least 9 papers between 2002 and 2009.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2009
<i>Ab-initio</i> multireference study of an organic mixed-valence Spiro molecular system.
J. Comput. Chem., 2009

2007
FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library.
J. Chem. Inf. Model., 2007

Selected excitation for CAS-SDCI calculations.
J. Comput. Chem., 2007

2006
Ab-Initio Multi-reference Study of a Bistable Spiro Molecule.
Proceedings of the Computational Science and Its Applications, 2006

2005
Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an example.
J. Comput. Chem., 2005

A combined freeze-and-cut strategy for the description of large molecular systems using a localized orbitals approach.
J. Comput. Chem., 2005

2004
Local orbitals for excited states.
Future Gener. Comput. Syst., 2004

2003
Vertical spectrum of the C2H2+ system. An open shell (SC)2-CAS-SDCI study.
J. Comput. Chem., 2003

2002
Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way.
J. Comput. Chem., 2002


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