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Chemistry - Theoretical and Computational Chemistry | Kinetics and Dynamics - From Nano- to Bio-Scale

Kinetics and Dynamics

From Nano- to Bio-Scale

Paneth, Piotr, Dybala-Defratyka, Agnieszka (Eds.)

2010, XVIII, 530 p.

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  • Provides a thorough computational approach to the reactivity of chemical and biochemical systems
  • Discusses recent advances in linear scaling algorithms and their impact on the study of kinetics
  • Describes a broad spectrum of systems and applications rather than being solely focussed on methodology
  • Features interplay between experiment and theory

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.

Content Level » Research

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

Related subjects » Materials - Molecular Medicine - Physical Chemistry - Theoretical and Computational Chemistry

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