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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...
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| Auteur principal : | |
|---|---|
| Format : | Livre |
| Langue : | anglais |
| Titre complet : | Molecular Materials with Specific Interactions / edited by W. Andrzej Sokalski. |
| Publié : |
Dordrecht :
Springer Netherlands
, [20..] Cham : Springer e-books Springer Nature |
| Collection : | Challenges and advances in computational chemistry and physics ; 4 |
| Titre de l'ensemble : | Challenges and Advances in Computational Chemistry and Physics vol. 4 |
| Accès en ligne : |
Accès Nantes Université
Accès direct soit depuis les campus via le réseau ou le wifi eduroam soit à distance avec un compte @etu.univ-nantes.fr ou @univ-nantes.fr |
| Note sur l'URL : | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex |
| Condition d'utilisation et de reproduction : | Conditions particulières de réutilisation pour les bénéficiaires des licences nationales : https://www.licencesnationales.fr/springer-nature-ebooks-contrat-licence-ln-2017 |
| Contenu : | 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 |
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| Documents associés : | Autre format:
Molecular Materials with Specific Interactions Modeling and Design |