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Multiscale Dynamics Simulations

Nano and Nano-bio Systems in Complex Environments

Theoretical and Computational Chemistry Series

Editor-in-chief:

Jonathan Hirst, University of Nottingham, Nottingham, UK

Advisory board:

Dongqing Wei, Shanghai Jiao Tong University, China

Jeremy Smith, Oakridge National Laboratory, USA

Titles in the series:

1: Knowledge-based Expert Systems in Chemistry: Not Counting on Computers

2: Non-Covalent Interactions: Theory and Experiment

3: Single-Ion Solvation: Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities

4: Computational Nanoscience

5: Computational Quantum Chemistry: Molecular Structure and Properties in Silico

6: Reaction Rate Constant Computations: Theories and Applications

7: Theory of Molecular Collisions

8: In Silico Medicinal Chemistry: Computational Methods to Support Drug Design

9: Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis

10: Computational Biophysics of Membrane Proteins

11: Cold Chemistry: Molecular Scattering and Reactivity Near Absolute Zero

12: Theoretical Chemistry for Electronic Excited States

13: Attosecond Molecular Dynamics

14: Self-organized Motion: Physicochemical Design based on Nonlinear Dynamics

15: Knowledge-based Expert Systems in Chemistry: Artificial Intelligence in Decision Making

16: London Dispersion Forces in Molecules, Solids and Nano-structures: An Introduction to Physical Models and Computational Methods

17: Machine Learning in Chemistry: The Impact of Artificial Intelligence

18: Tunnelling in Molecules: Nuclear Quantum Effects from Bio to Physical Chemistry

19: Understanding Hydrogen Bonds: Theoretical and Experimental Views

20: Computational Techniques for Analytical Chemistry and Bioanalysis

21: Effects of Electric Fields on Structure and Reactivity: New Horizons in Chemistry

22: Multiscale Dynamics Simulations: Nano and Nano-bio Systems in Complex Environments

How to obtain future titles on publication:

A standing order plan is available for this series. A standing order will bring delivery of each new volume immediately on publication.

For further information please contact:

Book Sales Department, Royal Society of Chemistry, Thomas Graham House, Science Park, Milton Road, Cambridge, CB4 0WF, UK

Telephone: +44 (0)1223 420066, Fax: +44 (0)1223 420247 Email: booksales@rsc.org

Visit our website at www.rsc.org/books

Multiscale Dynamics Simulations

Nano and Nano-bio Systems in Complex Environments

Edited by

Dennis R. Salahub

University of Calgary, Canada

and

Dongqing Wei

Shanghai Jiao Tong University, China

graphic

Theoretical and Computational Chemistry Series No. 22

Print ISBN: 978-1-83916-178-0

PDF ISBN: 978-1-83916-466-8

EPUB ISBN: 978-1-83916-467-5

Print ISSN: 2041-3181

Electronic ISSN: 2041-319X

A catalogue record for this book is available from the British Library

© The Royal Society of Chemistry 2022

All rights reserved

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