Advancing theory for kinetics and dynamics of complex, many-dimensional systems : clusters and proteins / edited by Tamiki Komatsuzaki, R. Stephen Berry, David M. Leitner.

Format:

Book

Contributor:

Komatsuzaki, Tamiki.

Berry, R. Stephen, 1931-2020.

Leitner, David M., 1963-

Series:

Advances in chemical physics ; v.145.

Advances in chemical physics ; v.145

Language:

English

Subjects (All):

Chemistry, Physical and theoretical.

Chemical kinetics.

Molecular dynamics.

Physical Description:

252 pages : illustrations ; 24 cm.

Place of Publication:

Hoboken, NJ : John Wiley & Sons, [2011]

Summary:

The simple molecular dynamics used to describe small molecules and chemical kinetics prove insufficient when applied to large, complex molecules such as those found in biology or nanoscale materials. Japanese and US molecular biologists, chemists, and physicists present some of the theoretical and computational methods that have been developed recently to address the challenge. They discuss non-Markovian theory of vibrational energy relaxation and its applications to biomolecular systems; basic concepts and computational methodologies of protein functional motions; non-Brownian phase space dynamics of molecules, the nature of their vibrational states, and non-RRKM (Rice-Ramsperger-Kassel-Marcus) kinetics; dynamical reaction theory based on geometric structures in phase space; and ergodic problems for real complex systems in chemical physics. Annotation ©2012 Book News, Inc., Portland, OR (booknews.com)

Contents:

Non-Markovian theory of vibrational energy relaxation and its applications to biomolecular systems / Hiroshi Fujisaki, Yong Zhang, John E Straub

Protein functional motions : basic concepts and computational methodologies / Sotaro Fuchigami, Hiroshi Fujisaki, Yasuhiro Matsunaga, Akinori Kidera

Non-Brownian phase space dynamics of molecules, the nature of their vibrational states, and non-RRKM kinetics / David M Leitner, Yasuhiro Matsunaga, Chun-Biu Li, Tamiki Komatsuzaki, Akira Shojiguchi, Mikito Toda

Dynamical reaction theory based on geometric structures in phase space / Shinnosuke Kawai, Hiroshi Teramoto, Chun-Biu Li, Tamiki Komatsuzaki, Mikito Toda

Ergodic problems for real complex systems in chemical physics / Tamiki Komatsuzaki, Akinori Baba, Shinnosuke Kawai, Mikito Toda, John E Straub, R Stephen Berry.

Notes:

Includes bibliographical references and indexes.

ISBN:

9780470643716

0470643714

OCLC:

753739638