JOSE
SANCHEZ MARIN
CATEDRÁTICO/A DE UNIVERSIDAD
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University of Bologna
Bolonia, ItaliaPublicacions en col·laboració amb investigadors/es de University of Bologna (8)
2014
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Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model
Journal of Computational Chemistry, Vol. 35, Núm. 8, pp. 611-621
2010
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High-Spin states in tetrahedral X4 Clusters (X = H, Li, Na, K)
International Journal of Quantum Chemistry, Vol. 110, Núm. 4, pp. 874-884
2008
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Full configuration-lnteraction study on the tetrahedral Li cluster
Journal of Chemical Theory and Computation, Vol. 4, Núm. 3, pp. 404-413
2007
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FORTRAN interface for code interoperability in quantum chemistry: The Q5Cost library
Journal of Chemical Information and Modeling, Vol. 47, Núm. 3, pp. 1271-1277
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The problem of interoperability: A common data format for quantum chemistry codes
International Journal of Quantum Chemistry
2004
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Full configuration interaction calculation of Be3
Journal of Chemical Physics, Vol. 120, Núm. 18, pp. 8405-8411
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Full configuration interaction calculation of singlet excited states of Be3
Journal of Chemical Physics, Vol. 121, Núm. 15, pp. 7103-7109
1998
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Size-consistent self-consistent configuration interaction from a complete active space: Excited states
Journal of Chemical Physics, Vol. 109, Núm. 19, pp. 8275-8282