Practical aspects of computational chemistry. An overview of the last two decades and current trends II :
Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends gathers the discussion of advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title reflects the celebration of the...
Enregistré dans:
| Andre forfattere: | , |
|---|---|
| Format: | Livre numérique |
| Sprog: | Anglais |
| Udgivet: |
Dordrecht :
Springer Netherlands : Imprint: Springer
[20..].
Cham : Springer Nature |
| 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: | • Practical Aspects of Computational Chemistry II, Texte imprimé, 9789400709225 |
Indholdsfortegnelse:
- On two recent developments in the description of molecular properties in solution by using the Polarizable Continuum Model (PCM): the coupled-cluster theory, and the molecules at extreme pressures The distribution of internal distances for ionic pairs in solvents of various polarity Digraph in Chemistry: All Possible Structures and Temperature-dependent Distribution of Water Cluster "Generalized-Ensemble Algorithms for Simulations of Complex Molecular Systems" "Generalized-Ensemble Algorithms for Simulations of Complex Molecular Systems" Modelling of Chemical Reactivity of Carbon Nanotubes: A Review Advancing Understanding and Design of Functional Materials through Theoretical and Computational Chemical Physics New Advances in QSPR/QSAR Analysis of Nitrocompounds: Solubility, Lipophilicity and Toxicity Progress in Predictions of Environmentally Important Physico-Chemical Properties of Energetic Materials: Applications of Quantum-Chemical Calculations State-of-the-art calculations of the 3d transition-metal dimers: Mn2 and Sc2 Theoretical Study of -Bond Activation Reactions and Catalytic Reactions by Transition Metal Complexes Application of Quantum-Chemical Techniques to Model Environmental Mercury Depletion Reactions Computational Perspectives on Organolithium Carbenoids Potential Path of DNA Damage: Electron Attachment Induced DNA Single Strand Breaks