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...
Αποθηκεύτηκε σε:
| Κύριος συγγραφέας: | |
|---|---|
| Μορφή: | Livre numérique |
| Γλώσσα: | Anglais |
| Έκδοση: |
Dordrecht :
Springer Netherlands : Springer e-books
[20..].
Cham : Springer Nature |
| Σειρά: | Challenges and Advances in Computational Chemistry and Physics
4 |
| Διαθέσιμο Online: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Σημείωση: |
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 |
| LEADER | 04648nam a22003257a 4500 | ||
|---|---|---|---|
| 001 | 938901 | ||
| 008 | 080410q2000 xx ||| |||| 00| 0 eng d | ||
| 009 | PPN12314826X | ||
| 020 | |a 9781402053726 | ||
| 041 | 0 | |a eng | |
| 082 | |a 539 | ||
| 100 | 1 | |a Sokalski, W. Andrzej. | |
| 245 | 1 | 0 | |a Molecular Materials with Specific Interactions |c edited by W. Andrzej Sokalski. |
| 260 | |a Dordrecht : |b Springer Netherlands : |b Springer e-books. | ||
| 260 | |a Cham : |b Springer Nature, |c [20..]. | ||
| 490 | 0 | |a Challenges and Advances in Computational Chemistry and Physics |v 4 | |
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 500 | |a Archives Springer e-books (Licence nationale) | ||
| 505 | 1 | |a 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 | |
| 506 | |a Accès en ligne pour les établissements français bénéficiaires des licences nationales | ||
| 506 | |a Accès soumis à abonnement pour tout autre établissement | ||
| 506 | |a Conditions particulières de réutilisation pour les bénéficiaires des licences nationales. https://www.licencesnationales.fr/springer-nature-ebooks-contrat-licence-ln-2017 | ||
| 520 | |a "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 properties and putting into practice rational design of new materials. One of the first requirements to initiate the molecular modeling of molecular materials is an accurate and realistic description of the electronic structure, intermolecular interactions and chemical reactions at microscopic and macroscopic scale. Therefore the first four chapters contain an extensive introduction into the latest theories of intermolecular interactions, functional density techniques, microscopic and mezoscopic modeling techniques as well as first-principle molecular dynamics. In the following chapters, techniques bridging microscopic and mezoscopic modeling scales are presented. The authors then illustrate various successful applications of molecular design of new materials, drugs, biocatalysts, etc. before presenting challenging topics in molecular materials design. This book is an excellent source of information for professionals involved in research in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology. It will benefit graduates, as well as undergraduate students exposed to the above research areas | ||
| 700 | 1 | |a Sokalski, W. Andrzej. |4 edt | |
| 776 | 0 | |t Molecular Materials with Specific Interactions Modeling and Design |b Texte imprimé |z 9781402053719 | |
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| 856 | 4 | |u https://revue-sommaire.istex.fr/ark:/67375/8Q1-HRDQ8GM3-6 |z Accès sur la plateforme Istex | |
| 856 | 4 | |5 452349901:747888329 |u https://ezproxy.univ-orleans.fr/login?url=https://doi.org/10.1007/1-4020-5372-X |z Accès Université d'Orléans | |
| 856 | 4 | |5 180339901:750901365 |u https://ezproxy.insa-cvl.fr/login?qurl=https://doi.org/10.1007/1-4020-5372-X |z Accès INSA CVL | |
| 997 | |0 938901 |1 Livre numérique |a Ressource numérique |b INSA |b ENSA |c 0/Bibliothèque numérique/ |c 1/Bibliothèque numérique/Autre ressource numérique/ | ||