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Theoretical and Computational Approaches to Predicting Ionic Liquid Properties
A guide to effective selection and assessment of theoretical methods for the study and prediction of ionic liquid characteristics
Aswathy Joseph (Edited by), Suresh Mathew (Edited by)
9780128202807
Paperback, published 23 November 2020
290 pages
22.9 x 15.1 x 1.9 cm, 0.48 kg
Approx.270 pages
1. Introduction 2. Molecular Dynamic Simulation of Ionic Liquid 3. Numerical studies on nanoparticle stabilization in ionic liquid medium (IoNanofluids) 4. Electronic Structure and Topological Analysis of Ionic Liquids 5. Structure and non-covalente interactions in ionic liquids mixtures and deep eutectic solvents 6. QM/MM Methodology for studying Ionic Liquids 7. Theoretical approaches to studying Ionic Liquid Nanostructure and Microstructure Domains 8. Temperature Dependent Features in Low-Frequency Spectra of Ionic Liquids 9. Predictive molecular thermodynamic models for ionic liquids
Subject Areas: Physical chemistry [PNR]
