Theoretical and Computational Approaches to Predicting Ionic Liquid Properties

Theoretical and Computational Approaches to Predicting Ionic Liquid PropertiesAuthor(s): Aswathy Joseph, Suresh Mathew\nFormat: Paperback\nPublisher: Elsevier Science Publishing Co Inc, United States\nImprint: Elsevier Science Publishing Co Inc\nISBN-13: 9780128202807, 978-0128202807\nSynopsis\nTheoretical and Computational Approaches to Predicting Ionic Liquid Properties highlights new approaches to predicting and understanding ionic liquid behavior and selecting ionic liquids based on theoretical knowledge corroborated by experimental studies. Supported throughout with case studies, the book provides a comparison of the accuracy and efficiency of different theoretical approaches. Sections cover the need for integrating theoretical research with experimental data, conformations, electronic structure and non-covalent interactions, microstructures and template effects, thermodynamics and transport properties, and spectro-chemical characteristics. Catalytic and electrochemical properti.