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Browsing Articles publicats (D-Q) by Subject "Self-consistent field theory"
Now showing items 1-2 of 2
A new efficient approach to the direct restricted active space self-consistent field method
2003
Article
Klene, Michael
Robb, Michael A.
Blancafort San José, Lluís
Frisch, Michael J.
Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry
2008
Article
Lasorne, Benjamin
Sicilia, Fabrizio
Bearpark, Michael J.
Robb, Michael A.
et al.
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