Intra- and Inter-molecular Interactions Between Non-covalently Bonded Species

The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymer, and cluster systems, and a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- And Inter-Molecular Interactions Between Non-Covalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between non bonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing on the extensive experience of its editor and team of expert authors, Intra- And Inter-Molecular Interactions Between Non-Covalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges and future directions for all those whose work is influenced by these interactions. Comprehensively describes the nature of interactions between non-bonded species, including in biological systems, crystals and water amongst othersCombines fundamental background information with knowledge of experimental techniquesOutlines interactions in a clear and consistent fashion, with a particular focus on frequency and time resolved spectroscopies as applied to these interactions INDICE: 1. Biomolecule Structure and Solvation through Interactions Between Non-Covalently Bonded Atoms and Molecules 2. Experimental and Calculational Studies of Clusters and Isolated Molecules 3. Clathrate Systems 4. Statistical Mechanics and Simulations 5. Bio-related, Bio-Similar and Energetic Species 6. Solvation of Bio-Related and Similar Species by Water 7. Specific Molecular Dynamics Simulation Theory for Biological Systems 8. Spectroscopic and Synthetic Approaches to Very Precise and Detailed Experiments on Water Cluster 9. Excess Electrons in Water Cluster, Long Range Correlations Effects, and Quantum Monte Carlo Methods 10. Spectrocopic Approaches to Water Clusters and Tagged Clusters 11. Exchange Repulsion: The Core of Intermolecular Interaction 12. Theory and Spectroscopic Properties of Halogen/Water and Similar Interactions 13. Chirality and Chiral Recognition 14. Ab Initio Calculations of Weak and Strong Hydrogen Bonds 15. Symmetry-Adapted Perturbation Theory Computations of Intermolecular Interactions 16. Intermolecular Interactions in Water Clusters: Energetics, Structure, Vibrations, and Many Body Effects in General Aqueous Systems 17. Symmetry-Adapted Perturbation Theory and Super Molecular CC Computations of Intermolecular Interactions 18. Non-Covalent Interactions in Crystals with DFT Techniques

• ISBN: 978-0-12-817586-6
• Editorial: Elsevier
• Encuadernacion: Rústica
• Páginas: 350
• Fecha Publicación: 01/08/2020
• Nº Volúmenes: 1
• Idioma: Inglés