JOSE MIGUEL
JUNQUERA HERNANDEZ
INVEST DOCT UV SENIOR
Paul Sabatier University
Tolosa, FranciaPublicaciones en colaboración con investigadores/as de Paul Sabatier University (4)
2005
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Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an example
Journal of Computational Chemistry, Vol. 26, Núm. 12, pp. 1254-1262
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
2002
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Molecular electric quadrupole moments calculated with matrix dressed SDCI
Chemical Physics Letters, Vol. 359, Núm. 3-4, pp. 343-348