| Titre : | Computational methods for large systems : electronic structure approaches for biotechnology and nanotechnology |
| Auteurs : | Reimers,Jeffrey R., Éditeur scientifique |
| Type de document : | texte imprimé |
| Editeur : | New York : John Wiley & Sons, 2011 |
| ISBN/ISSN/EAN : | 978-0-470-48788-4 |
| Format : | 659 p. / ill. / 24 cm |
| Note générale : | Index |
| Langues : | Anglais |
| Index. décimale : | 620.3 (Nanotechnologie) |
| Tags : | Computational techniques electronic |
| Résumé : | While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems. |
| Note de contenu : |
In summary :
1. DFT:the basic workhorse. 2. Higher-accuracy methids. 3. More-economical methods. 4. Advanced applications. |
Exemplaires (1)
| Cote | Support | Localisation | Section | Disponibilité | Etat_Exemplaire |
|---|---|---|---|---|---|
| 620.3 COM | Papier | Bibliothèque Centrale | Ingénierie | Disponible | Consultation sur place |
