| Titre : |
Calculs des propriétés magnétiques de nouveaux composés à base de platine |
| Type de document : |
texte imprimé |
| Auteurs : |
Yacine Djebli ; Univ. de Constantine, Éditeur scientifique ; T. Benlecheb, Directeur de thèse |
| Année de publication : |
2008 |
| Importance : |
65 f. |
| Note générale : |
01 Disponible à la salle de recherche 02 Disponibles au magazin de la B.U.C. 01 CD |
| Langues : |
Français (fre) |
| Catégories : |
Français - Anglais
Chimie
|
| Tags : |
RMN Ecran magnétique Couplage de spin |
| Index. décimale : |
540 Chimie et sciences connexes |
| Résumé : |
In order to relate results from quantum chemical calculations to experiment, it is essential to compute
quantities that are directly available from measurements. In particular, theoretical predictions of
structure and spectroscopic quantities are important to establish.
Among the magnetic properties of a molecule, the parameters which characterize the NMR spectrum
of molecule are of particular interest to chemists. The quantum chemical calculation of NMR chemical
shifts and also of indirect spin-spin coupling constants is of a great importance. As the calculation of
ma
gnetic properties pose a few problems, their computation is discussed in some detail in this thesis.
The computation of NMR observables within a relativistic formalism that has some important
consequences is presented.
The application of DFT method to the computation of some Pt transition metal NMR have been
reviewed and discussed. |
| Diplôme : |
Magistère |
| En ligne : |
../theses/chimie/DJE5152.pdf |
| Format de la ressource électronique : |
pdf |
| Permalink : |
https://bu.umc.edu.dz/md/index.php?lvl=notice_display&id=3693 |
Calculs des propriétés magnétiques de nouveaux composés à base de platine [texte imprimé] / Yacine Djebli ; Univ. de Constantine, Éditeur scientifique ; T. Benlecheb, Directeur de thèse . - 2008 . - 65 f. 01 Disponible à la salle de recherche 02 Disponibles au magazin de la B.U.C. 01 CD Langues : Français ( fre)
| Catégories : |
Français - Anglais
Chimie
|
| Tags : |
RMN Ecran magnétique Couplage de spin |
| Index. décimale : |
540 Chimie et sciences connexes |
| Résumé : |
In order to relate results from quantum chemical calculations to experiment, it is essential to compute
quantities that are directly available from measurements. In particular, theoretical predictions of
structure and spectroscopic quantities are important to establish.
Among the magnetic properties of a molecule, the parameters which characterize the NMR spectrum
of molecule are of particular interest to chemists. The quantum chemical calculation of NMR chemical
shifts and also of indirect spin-spin coupling constants is of a great importance. As the calculation of
ma
gnetic properties pose a few problems, their computation is discussed in some detail in this thesis.
The computation of NMR observables within a relativistic formalism that has some important
consequences is presented.
The application of DFT method to the computation of some Pt transition metal NMR have been
reviewed and discussed. |
| Diplôme : |
Magistère |
| En ligne : |
../theses/chimie/DJE5152.pdf |
| Format de la ressource électronique : |
pdf |
| Permalink : |
https://bu.umc.edu.dz/md/index.php?lvl=notice_display&id=3693 |
|
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