This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.
Series Editors Stuart A. Rice received his master's and doctorate from Harvard University and was a Junior Fellow at Harvard for two years before joining the faculty of The University of Chicago in 1957 where he remains a well-known theoretical chemist who also does experimental research and is currently the Frank P. Hixon Distinguished Service Professor Emeritus at The University of Chicago. Professor Rice has served the university in a wide variety of capacities during his forty-eight year tenure. He served as the director of the James Franck Institute (the university's center for physical chemistry and condensed matter physics) from 1961 to 1967, was Chairman of the Department of Chemistry from 1971 to 1976 and was Dean of the Physical Sciences Division from 1981 to 1995. In 1999 he received the National Medal of Science. In addition to his work at the University, he is currently on the Board of Governors at Argonne National Laboratory, managed by and affiliated with The University of Chicago, as well as Tel Aviv University. He has served as editor for Chemical Physics Letters, in addition to the series on Advances in Chemical Physics. He currently maintains a full research lab but has retired from teaching classes. Aaron R. Dinner received his bachelor's degree and doctorate from Harvard University, after which he conducted postdoctoral research at the University of Oxford and the University of California, Berkely. He joined the faculty at the University of Chicago in 2003 and is the Principal Investigator of The Dinner Group, which develops and applies theoretical methods for relating cellular behavior to molecular properties. Volume Editors Tamiki Komatsuzaki is a professor at Hokkaido University in Japan and his research interests include complexity of protein landscape, conformation network and dynamics, developments of new methodologies and concepts to bridge molecules and life based on single molecule time series, information flow across hierarchies of time and space and its relation to biological functions, and adaptability, robustness and emergence in complex systems R. Stephen Berry is James Franck Distinguished Service Professor in the Department of Chemistry and the James Franck Institute at the University of Chicago. His research interests include structures, properties and dynamics of clusters and biopolymers. David M. Leitner is a Professor in the Departments of Theoretical and Biophysical Chemistry and Chemical Physics at the University of Nevada, Reno. His research interests include how energy flows within a molecule mediates the rate at which it reacts both in gas and condensed phases.
Preface. Non-Markovian Theory of Vibrational Energy Relaxation and its Applications to Biomolecular Systems (Hiroshi Fujisaki, Yong Zhang, and John E. Straub). Protein Functional Motions: Basic Concepts and Computational Methodologies (Sotaro Fuchigami, Hiroshi Fujisaki, Yasuhiro Matsunaga, and 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, and Mikito Toda). Dynamical Reaction Theory Based on Geometric Structures in Phase Space (Shinnosuke Kawai, Hiroshi Teramoto, Chun-Biu Li, Tamiki Komatsuzaki, and Mikito Toda). Ergodic Problems for Real Complex Systems in Chemical Physics (Tamiki Komatsuzaki, Akinori Baba, Shinnosuke Kawai, Mikito Toda, John E. Straub, and R. Stephen Berry). Author Index. Subject Index.
Show moreThis series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.
Series Editors Stuart A. Rice received his master's and doctorate from Harvard University and was a Junior Fellow at Harvard for two years before joining the faculty of The University of Chicago in 1957 where he remains a well-known theoretical chemist who also does experimental research and is currently the Frank P. Hixon Distinguished Service Professor Emeritus at The University of Chicago. Professor Rice has served the university in a wide variety of capacities during his forty-eight year tenure. He served as the director of the James Franck Institute (the university's center for physical chemistry and condensed matter physics) from 1961 to 1967, was Chairman of the Department of Chemistry from 1971 to 1976 and was Dean of the Physical Sciences Division from 1981 to 1995. In 1999 he received the National Medal of Science. In addition to his work at the University, he is currently on the Board of Governors at Argonne National Laboratory, managed by and affiliated with The University of Chicago, as well as Tel Aviv University. He has served as editor for Chemical Physics Letters, in addition to the series on Advances in Chemical Physics. He currently maintains a full research lab but has retired from teaching classes. Aaron R. Dinner received his bachelor's degree and doctorate from Harvard University, after which he conducted postdoctoral research at the University of Oxford and the University of California, Berkely. He joined the faculty at the University of Chicago in 2003 and is the Principal Investigator of The Dinner Group, which develops and applies theoretical methods for relating cellular behavior to molecular properties. Volume Editors Tamiki Komatsuzaki is a professor at Hokkaido University in Japan and his research interests include complexity of protein landscape, conformation network and dynamics, developments of new methodologies and concepts to bridge molecules and life based on single molecule time series, information flow across hierarchies of time and space and its relation to biological functions, and adaptability, robustness and emergence in complex systems R. Stephen Berry is James Franck Distinguished Service Professor in the Department of Chemistry and the James Franck Institute at the University of Chicago. His research interests include structures, properties and dynamics of clusters and biopolymers. David M. Leitner is a Professor in the Departments of Theoretical and Biophysical Chemistry and Chemical Physics at the University of Nevada, Reno. His research interests include how energy flows within a molecule mediates the rate at which it reacts both in gas and condensed phases.
Preface. Non-Markovian Theory of Vibrational Energy Relaxation and its Applications to Biomolecular Systems (Hiroshi Fujisaki, Yong Zhang, and John E. Straub). Protein Functional Motions: Basic Concepts and Computational Methodologies (Sotaro Fuchigami, Hiroshi Fujisaki, Yasuhiro Matsunaga, and 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, and Mikito Toda). Dynamical Reaction Theory Based on Geometric Structures in Phase Space (Shinnosuke Kawai, Hiroshi Teramoto, Chun-Biu Li, Tamiki Komatsuzaki, and Mikito Toda). Ergodic Problems for Real Complex Systems in Chemical Physics (Tamiki Komatsuzaki, Akinori Baba, Shinnosuke Kawai, Mikito Toda, John E. Straub, and R. Stephen Berry). Author Index. Subject Index.
Show morePreface xi
Non-Markovian Theory of Vibrational Energy Relaxation and its
Applications to Biomolecular Systems 1
By Hiroshi Fujisaki, Yong Zhang, and John E. Straub
Protein Functional Motions: Basic Concepts and Computational
Methodologies 35
By Sotaro Fuchigami, Hiroshi Fujisaki, Yasuhiro Matsunaga, and
Akinori Kidera
Non-Brownian Phase Space Dynamics of Molecules, the Nature of
Their Vibrational States, and Non-RRKM Kinetics 83
By David M. Leitner, Yasuhiro Matsunaga, Chun-Biu Li, Tamiki
Komatsuzaki, Akira Shojiguchi, and Mikito Toda
Dynamical Reaction Theory Based on Geometric Structures in Phase
Space 123
By Shinnosuke Kawai, Hiroshi Teramoto, Chun-Biu Li, Tamiki
Komatsuzaki, and Mikito Toda
Ergodic Problems for Real Complex Systems in Chemical Physics
171
By Tamiki Komatsuzaki, Akinori Baba, Shinnosuke Kawai, Mikito Toda,
John E. Straub, and R. Stephen Berry
Author Index 221
Subject Index 247
Series Editors Stuart A. Rice received his master's and doctorate fromHarvard University and was a Junior Fellow at Harvard for two yearsbefore joining the faculty of The University of Chicago in1957 where he remains a well-known theoretical chemist whoalso does experimental research and is currently the Frank P. HixonDistinguished Service Professor Emeritus at The University ofChicago. Professor Rice has served the university in a wide varietyof capacities during his forty-eight year tenure. He served as thedirector of the James Franck Institute (the university's center forphysical chemistry and condensed matter physics) from 1961 to 1967,was Chairman of the Department of Chemistry from 1971 to 1976 andwas Dean of the Physical Sciences Division from 1981 to 1995. In1999 he received the National Medal of Science. In addition to his work at the University, he is currently on theBoard of Governors at Argonne National Laboratory, managed by andaffiliated with The University of Chicago, as well as Tel AvivUniversity. He has served as editor for Chemical PhysicsLetters, in addition to the series on Advances in ChemicalPhysics. He currently maintains a full research lab but has retiredfrom teaching classes. Aaron R. Dinner received his bachelor's degree anddoctorate from Harvard University, after which he conductedpostdoctoral research at the University of Oxford and theUniversity of California, Berkely. He joined the faculty at theUniversity of Chicago in 2003 and is the Principal Investigator ofThe Dinner Group, which develops and applies theoretical methodsfor relating cellular behavior to molecular properties. Volume Editors Tamiki Komatsuzaki is a professor at Hokkaido Universityin Japan and his research interests include complexity of proteinlandscape, conformation network and dynamics, developments of newmethodologies and concepts to bridge molecules and life based onsingle molecule time series, information flow across hierarchies oftime and space and its relation to biological functions, andadaptability, robustness and emergence in complex systems R. Stephen Berry is James Franck Distinguished ServiceProfessor in the Department of Chemistry and the James FranckInstitute at the University of Chicago. His research interestsinclude structures, properties and dynamics of clusters andbiopolymers. David M. Leitner is a Professor in the Departments ofTheoretical and Biophysical Chemistry and Chemical Physics at theUniversity of Nevada, Reno. His research interests include howenergy flows within a molecule mediates the rate at which it reactsboth in gas and condensed phases.
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