A new SOS-DFPT approximation for NMR shielding calculations : the Loc.3 correction applied to the catalytic mechanism of Serine Proteases
| dc.contributor.advisor | SALAHUB, DENNIS | |
| dc.contributor.author | Fadda, Elisa | |
| dc.date.accessioned | 2016-09-21T14:26:51Z | |
| dc.date.available | 2016-09-21T14:26:51Z | |
| dc.date.issued | 2004 | |
| dc.date.submitted | 2003 | |
| dc.identifier.uri | http://hdl.handle.net/1866/14341 | |
| dc.subject | Théorie de la fonctionnelle de la densité | |
| dc.subject | Sum-over-states density-functional perturbation theory | |
| dc.subject | Loc.3 | |
| dc.subject | Théorie de la fonctionnelle de la densité dépendant du temps | |
| dc.subject | Résonance magnétique nucléaire | |
| dc.subject | Composés azotés | |
| dc.subject | Protéases à serine | |
| dc.subject | Mécanisme catalytique "ring flip" | |
| dc.title | A new SOS-DFPT approximation for NMR shielding calculations : the Loc.3 correction applied to the catalytic mechanism of Serine Proteases | |
| dc.type | Thèse ou mémoire / Thesis or Dissertation | |
| etd.degree.discipline | Chimie | fr |
| etd.degree.grantor | Université de Montréal | fr |
| etd.degree.level | Doctorat / Doctoral | |
| etd.degree.name | Ph. D. | |
| dcterms.description | Thèse numérisée par la Direction des bibliothèques de l'Université de Montréal. | fr |
| dcterms.language | eng |
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