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- Theoretical and Computational Approaches to Predicting Ionic Liquid Properties
Theoretical and Computational Approaches to Predicting Ionic Liquid Properties
ISBN: 9780128202807
Leidimo metai: 2020
Leidėjas: Elsevier
Leidinio kalba: Anglų
Formatas: Minkšti viršeliai
Formatas: 9×6
Leidimo metai: 2020
Leidėjas: Elsevier
Leidinio kalba: Anglų
Formatas: Minkšti viršeliai
Formatas: 9×6
Aprašymas
<p><i>Theoretical and Computational Approaches to Predicting Ionic Liquid Properties</i> 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 properties are then explored, followed by interfacial properties and solvation dynamics.</p> <p>Structured for ease of use, and combining the research knowledge of a global team of experts in the field, this book is an indispensable tool for those involved with the research, development and application of ionic liquids across a vast range of fields.</p>
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