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 TitleAuthors / EditorsDate
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Full configuration interaction study of the ground state of closed-shell cyclic PPP polyenes Bendazzoli, Gian Luigi; Evangelisti, Stefano; Gagliardi, Laura 1994
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Full configuration interaction calculations on Be2 Evangelisti, Stefano; Bendazzoli, Gian Luigi; Gagliardi, Laura 1994
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Complete Active Space Configuration Interaction calculations with optimized orbitals: application to Li2 Evangelisti, Stefano; Bendazzoli, Gian Luigi; Gagliardi, Laura 1995
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A Complete Active-Space Self-Consistent-Field Study on Cubic N8 Evangelisti, Stefano; Gagliardi, Laura 1996
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A full configuration interaction study of the low-lying states of the BH molecule Gagliardi, Laura; Bendazzoli, Gian Luigi; Evangelisti, Stefano 1997
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Direct-list algorithm for configuration interaction calculations Gagliardi, Laura; Bendazzoli, Gian Luigi; Evangelisti, Stefano 1997
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A theoretical study of the N8 cubane to N8 pentalene isomerization reaction Gagliardi, Laura; Evangelisti, Stefano; Widmark, Per-Olof; Roos, Björn O. 1998
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A theoretical study of ten N8 isomers Gagliardi, Laura; Evangelisti, Stefano; Roos, Björn O.; Widmark, Per-O. 1998
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On the dissociation of N6 into 3 N2 molecules Gagliardi, Laura; Evangelisti, Stefano; Barone, Vincenzo; Roos, Björn O. 2000
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Dissociation reaction of N8 azapentalene to 4N2: A theoretical study Gagliardi, Laura; Evangelisti, Stefano; Bernhardsson, Anders; Lindh, Roland; Roos, Björn O. 2000
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A theoretical study of the nitrogen clusters formed from the ions N3-, N5+, and N5- Gagliardi, Laura; Orlandi, Giorgio; Evangelisti, Stefano; Roos, Björn O. 2001