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Browsing Articles publicats (D-Q) by Subject "Mathematical models"
Now showing items 1-3 of 3
The hardness profile as a tool to detect spurious stationary points in the potential energy surface
2004
Article
Torrent Sucarrat, Miquel
Luis Luis, Josep Maria
Duran i Portas, Miquel
Solà i Puig, Miquel
Second-order Møller-Plesset perturbation theory without basis set superposition error: II: open-shell systems
2004
Article
Salvador Sedano, Pedro
Mayer, István
Estimation of electronic coupling in π -stacked donor-bridge-acceptor systems: correction of the two-state model
2006
Article
Voityuk, Alexander A.
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