Principles and applications of densitiy functional theory in inorganic chemistry. II
It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably...
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| Format: | Livre numérique |
| Sprache: | Anglais |
| Veröffentlicht: |
Berlin [etc.] :
Springer
[20..].
Cham : Springer Nature |
| Schriftenreihe: | Structure and bonding
113 |
| Schlagworte: | |
| Online Zugang: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Anmerkung: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Principles and applications of densitiy functional theory in inorganic chemistry, II, Volume Editor by N. Kaltsoyannis, J.E. McGrady, Berlin, Springer, 2004, 1 vol. (243 p.), Structure and bonding, 3-540-21861-0 • Principles and Applications of Density Functional Theory in Inorganic Chemistry II, Texte imprimé, 9783642060076 • Principles and Applications of Density Functional Theory in Inorganic Chemistry II, Texte imprimé, 9783662145418 |
Inhaltsangabe:
- Agostic Interactions from a Computational Perspective: One Name, many Interpretations
- Computational Bioinorganic Chemistry
- Theoretical Study of the Exchange Coupling in Large Polynuclear Transition Metal Complexes Using DFT Methods
- Computing the Properties of Materials from First Principles with SIESTA
- The Performance of Hybrid Density Functionals in Solid State Chemistry
- Author Index 101 113.