Kinetics and Dynamics

From Nano- to Bio-Scale

  • Piotr Paneth
  • Agnieszka Dybala-Defratyka

Part of the Challenges and Advances in Computational Chemistry and Physics book series (COCH, volume 12)

Table of contents

  1. Front Matter
    Pages i-xvii
  2. Inés Corral, Cristina Trujillo, Jean-Yves Salpin, Manuel Yáñez
    Pages 1-33
  3. Mirjana Eckert-Maksić, Ivana Antol, Mario Vazdar, Mario Barbatti, Hans Lischka
    Pages 77-106
  4. C. B. Shinisha, Deepa Janardanan, Raghavan B. Sunoj
    Pages 107-136
  5. Sabyashachi Mishra, Markus Meuwly
    Pages 137-155
  6. Marek Cypryk, Grzegorz Krasiński
    Pages 157-186
  7. Dmytro Kosenkov, Yana Kholod, Leonid Gorb, Jerzy Leszczynski
    Pages 187-211
  8. Tomáš Kubař, Marcus Elstner
    Pages 213-245
  9. Victor M. Anisimov, Claudio N. Cavasotto
    Pages 247-266
  10. Sérgio F. Sousa, Pedro A. Fernandes, Maria João Ramos
    Pages 299-330
  11. Silvia Ferrer, Sergio Martí, Vicent Moliner, Iñaki Tuñón
    Pages 355-374
  12. John D. McGeagh, Adrian J. Mulholland
    Pages 375-395
  13. Hannes G. Wallnoefer, Thomas Fox, Klaus R. Liedl
    Pages 431-463
  14. Rubén Meana-Pañeda, Antonio Fernández-Ramos
    Pages 481-500
  15. Linus O. Johannissen, Sam Hay, Jiayun Pang, Michael J. Sutcliffe, Nigel S. Scrutton
    Pages 501-519
  16. Back Matter
    Pages 521-530

About this book


Computational chemistry is a rapidly developing discipline. This is due to the development of faster algorithms and the increasing power of computers. This book explores the novel applications of these computational tools by focusing on studies which feature chemical and biochemical reactions at various scales and environments. Kinetics and Dynamics: from Nano- to Bio-Scale presents numerous examples which range from simple reactions in the gas phase to polymerization to complex biochemical systems. The reader is shown how the complexity of these systems necessitates the use of different theoretical approaches and methodologies hence broadening our understanding of these fundamental phenomena.

Kinetics and Dynamics: from Nano- to Bio- Scale consists of a collection of chapters written by experts in the field. Their contributions have been selected to illustrate a variety of systems and techniques. Whilst it is impossible to be exhaustive on this subject within a single volume, an attempt has been made to describe different systems of interest in the life sciences.

This book provides contemporary and comprehensive reference material. It is useful for graduate students as well as independent scientists either entering the field of computational chemistry for the first time or those who are aiming to augment their expertise.


Dynamic Processes Linear Scaling Algorithms Quantum Mechanics Methods Quantum Mechanics/Molecular Mechanics Methods Reaction Rates Transition States dynamics mechanics

Editors and affiliations

  • Piotr Paneth
    • 1
  • Agnieszka Dybala-Defratyka
    • 2
  1. 1.Inst. Applied Radiation Chemistry, Dept. ChemistryTechnical University of LodzLodzPoland
  2. 2.Inst. Applied Radiation Chemistry, Dept. ChemistryTechnical University of LodzLodzPoland

Bibliographic information

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