Molecular Materials with Specific Interactions
"Molecular Materials with Specific Interactions: Modeling and Design" has a very interdisciplinary character and is intended to provide basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in modeling molecular...
Uloženo v:
| Hlavní autor: | |
|---|---|
| Médium: | Livre numérique |
| Jazyk: | Anglais |
| Vydáno: |
Dordrecht :
Springer Netherlands : Springer e-books
[20..].
Cham : Springer Nature |
| Edice: | Challenges and Advances in Computational Chemistry and Physics
4 |
| On-line přístup: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Poznámka: |
Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Molecular Materials with Specific Interactions Modeling and Design, Texte imprimé, 9781402053719 |
Obsah:
- Theory of Intermolecular Forces: an Introductory Account Hohenberg-Kohn-Sham Density Functional Theory Selected Microscopic and Mezoscopic Modelling Tools and Models an Overview Modeling Chemical Reactions with First-Principle Molecular Dynamics Computational Enzymology: Insights into Enzyme Mechanism and Catalysis from Modelling Computational Determination of the Relative Free Energy of Binding Application to Alanine Scanning Mutagenesis Substrate-Enzyme Interactions from Modeling and Isotope Effects From Inhibitors of Lap to Inhibitors of Pal Theoretical Studies of the Transition States Along the Reaction Coordinates of [NIFE] Hydrogenase Bacteriorhodopsin Energy Landscape: Current Status Dimerization and Oligomerization of Rhodopsin and Other G Protein-Coupled Receptors Molecular Dynamics Simulations of Hydrogen Adsorption in Finite and Infinite Bundles ofSingle Walled Carbon Nanotubes The Remarkable Capacities of (6,0) Carbon and Carbon/Boron/Nitrogen Model Nanotubes for Transmission of Electronic Effects Electronic Properties and Fragmentation Dynamics of Organic Species Deposited on Silicon Surfaces Recent Advances in Fullerene Deposition on Semiconductor Surfaces A Quest for Efficient Methods of Disintegration of Organophosphorus Compounds: Modeling Adsorption and Decomposition Processes