Computational chemistry and molecular modeling : principles and applications
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug...
Enregistré dans:
| Auteurs principaux: | , , |
|---|---|
| Format: | Livre numérique |
| Sprog: | Anglais |
| Udgivet: |
Berlin, Heidelberg :
Springer Berlin Heidelberg
[20..].
Cham : Springer Nature |
| Udgivelse: | 1st ed. 2008. |
| Online adgang: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Kommentar: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Computational chemistry and molecular modeling, principles and applications, K.I. Ramachandran, G. Deepa, K. Namboori, Berlin, Springer, 2008, 1 vol. (xxi-397 p.), 978-3-540-77302-3 |
Indholdsfortegnelse:
- Symmetry and Point Groups Quantum Mechanics: A Brief Introduction Hückel Molecular Orbital Theory Hartree-Fock Theory Basis Sets Semiempirical Methods The Ab Initio Method Density Functional Theory Reduced Density Matrix Molecular Mechanics The Modeling of Molecules Through Computational Methods High Performance Computing Research in Computational Chemistry and Molecular Modeling Basic Mathematics for Computational Chemistry