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Author: Rudolf K. Allemann Publisher: Royal Society of Chemistry ISBN: 0854041222 Category : Science Languages : en Pages : 412
Book Description
In recent years, there has been an explosion in knowledge and research associated with the field of enzyme catalysis and H-tunneling. Rich in its breath and depth, this introduction to modern theories and methods of study is suitable for experienced researchers those new to the subject. Edited by two leading experts, and bringing together the foremost practitioners in the field, this up-to-date account of a rapidly developing field sits at the interface between biology, chemistry and physics. It covers computational, kinetic and structural analysis of tunnelling and the synergy in combining these methods (with a major focus on H-tunneling reactions in enzyme systems). The book starts with a brief overview of proton and electron transfer history by Nobel Laureate, Rudolph A. Marcus. The reader is then guided through chapters covering almost every aspect of reactions in enzyme catalysis ranging from descriptions of the relevant quantum theory and quantum/classical theoretical methodology to the description of experimental results. The theoretical interpretation of these large systems includes both quantum mechanical and statistical mechanical computations, as well as simple more approximate models. Most of the chapters focus on enzymatic catalysis of hydride, proton and H" transfer, an example of the latter being proton coupled electron transfer. There is also a chapter on electron transfer in proteins. This is timely since the theoretical framework developed fifty years ago for treating electron transfers has now been adapted to H-transfers and electron transfers in proteins. Accessible in style, this book is suitable for a wide audience but will be particularly useful to advanced level undergraduates, postgraduates and early postdoctoral workers.
Author: Rudolf K. Allemann Publisher: Royal Society of Chemistry ISBN: 0854041222 Category : Science Languages : en Pages : 412
Book Description
In recent years, there has been an explosion in knowledge and research associated with the field of enzyme catalysis and H-tunneling. Rich in its breath and depth, this introduction to modern theories and methods of study is suitable for experienced researchers those new to the subject. Edited by two leading experts, and bringing together the foremost practitioners in the field, this up-to-date account of a rapidly developing field sits at the interface between biology, chemistry and physics. It covers computational, kinetic and structural analysis of tunnelling and the synergy in combining these methods (with a major focus on H-tunneling reactions in enzyme systems). The book starts with a brief overview of proton and electron transfer history by Nobel Laureate, Rudolph A. Marcus. The reader is then guided through chapters covering almost every aspect of reactions in enzyme catalysis ranging from descriptions of the relevant quantum theory and quantum/classical theoretical methodology to the description of experimental results. The theoretical interpretation of these large systems includes both quantum mechanical and statistical mechanical computations, as well as simple more approximate models. Most of the chapters focus on enzymatic catalysis of hydride, proton and H" transfer, an example of the latter being proton coupled electron transfer. There is also a chapter on electron transfer in proteins. This is timely since the theoretical framework developed fifty years ago for treating electron transfers has now been adapted to H-transfers and electron transfers in proteins. Accessible in style, this book is suitable for a wide audience but will be particularly useful to advanced level undergraduates, postgraduates and early postdoctoral workers.
Author: E. Bright Wilson Publisher: Courier Corporation ISBN: 0486137155 Category : Science Languages : en Pages : 418
Book Description
Pedagogical classic and essential reference focuses on mathematics of detailed vibrational analyses of polyatomic molecules, advancing from application of wave mechanics to potential functions and methods of solving secular determinant.
Author: Thomas Elsaesser Publisher: Springer Science & Business Media ISBN: 9401700591 Category : Science Languages : en Pages : 193
Book Description
Hydrogen bonds represent type of molecular interaction that determines the structure and function of a large variety of molecular systems. The elementary dynamics of hydrogen bonds and related proton transfer reactions, both occurring in the ultra fast time domain between 10-14 and 10-11s, form a research topic of high current interest. In this book addressing scientists and graduate students in physics, chemistry and biology, the ultra fast dynamics of hydrogen bonds and proton transfer in the condensed phase are reviewed by leading scientists, documenting the state of the art in this exciting field from the viewpoint of theory and experiment. The nonequilibrium behavior of hydrogen-bonded liquids and intramolecular hydrogen bonds as well as photo induced hydrogen and proton transfer are covered in 7 chapters, making reference to the most recent literature.
Author: Johannes Kästner Publisher: Royal Society of Chemistry ISBN: 1839160381 Category : Science Languages : en Pages : 453
Book Description
Quantum tunnelling is one of the strangest phenomena in chemistry, where we see the wave nature of atoms acting in “impossible” ways. By letting molecules pass through the kinetic barrier instead of over it, this effect can lead to chemical reactions even close to the absolute zero, to atypical spectroscopic observations, to bizarre selectivity, or to colossal isotopic effects. Quantum mechanical tunnelling observations might be infrequent in chemistry, but it permeates through all its disciplines producing remarkable chemical outcomes. For that reason, the 21st century has seen a great increase in theoretical and experimental findings involving molecular tunnelling effects, as well as in novel techniques that permit their accurate predictions and analysis. Including experimental, computational and theoretical chapters, from the physical and organic to the biochemistry fields, from the applied to the academic arenas, this new book provides a broad and conceptual perspective on tunnelling reactions and how to study them. Quantum Tunnelling in Molecules is the obligatory stop for both the specialist and those new to this world.
Author: L.I. Krishtalik Publisher: Springer Science & Business Media ISBN: 1468487183 Category : Science Languages : en Pages : 339
Book Description
The mechanism of an elementary act is undoubtedly one of the most fundamental problems of chemical and, in particular, electro chemical kinetics. Although this problem has fascinated scientists for quite a long time, it was only in the late fifties and early sixties that it began to be actively investigated for charge transfer reactions. Owing to the development of new methods in the analysis of this problem, significant advancements were made in theoretical as well as experimental studies. These investigations showed that the physical mechanism of charge transfer in all processes including heterogeneous electrochemical and homogeneous chemical and bio chemical processes is basically the same. Hence, the results ob tained in the field of electrochemical kinetics are relevant to the understanding of homogeneous chemical reactions as well. This book endeavors to summarize the results of investigations carried out during the last two decades. It is based on the author's monograph "Electrode Reactions: The Mechanism of an Elementary Act" (Nauka, 1979). As compared to the first version, the book has been considerably revised and enlarged not only to include a large body of data published between 1978 and 1982, but also to analyze in detail the links between electrochemical and homogeneous, in particular enzymatic, kinetics. As a result, a new chapter has been added to the book. The change in the title reflects the fact that the material contained in the book is not restricted to an investigation of purely electrochemical problems.
Author: Piotr Paneth Publisher: Springer Science & Business Media ISBN: 9048130344 Category : Science Languages : en Pages : 538
Book Description
"Kinetics and Dynamics" on molecular modeling of dynamic processes opens with an introductory overview before discussing approaches to reactivity of small systems in the gas phase. Then it examines studies of systems of increasing complexity up to the dynamics of DNA. This title has interdisciplinary character presenting wherever possible an interplay between the theory and the experiment. It provides basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in modeling of dynamic processes in chemical and biochemical systems. All contributing authors are renowned experts in their fields and topics covered in this volume represent the forefront of today’s science.
Author: Hiroki Nakamura Publisher: CRC Press ISBN: 1466507322 Category : Science Languages : en Pages : 225
Book Description
Quantum mechanical tunneling plays important roles in a wide range of natural sciences, from nuclear and solid-state physics to proton transfer and chemical reactions in chemistry and biology. Responding to the need for further understanding of multidimensional tunneling, the authors have recently developed practical methods that can be applied to
Author: Amnon Kohen Publisher: CRC Press ISBN: 1420028022 Category : Medical Languages : en Pages : 1092
Book Description
The field of isotope effects has expanded exponentially in the last decade, and researchers are finding isotopes increasingly useful in their studies. Bringing literature on the subject up to date, Isotope Effects in Chemistry and Biology covers current principles, methods, and a broad range of applications of isotope effects in the physical, biolo
Author: Joshua Jortner Publisher: Springer Science & Business Media ISBN: 9401107866 Category : Science Languages : en Pages : 562
Book Description
The Twenty Sixth Jerusalem Symposium reflected the high standards of these distinguished scientific meetings, which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The topic at this year's Jerusalem Symposium was reaction dynamics in clusters and condensed phases, which constitutes a truly interdisciplinary subject of central interest in the areas of chemical dynamics, kinetics, photochemistry and condensed matter chemical physics. The main theme of the Symposium was built around the exploration of the interrelationship between the dynamics in large finite clusters and in infinite bulk systems. The main issues addressed microscopic and macroscopic sol vation phenomena, cluster and bulk spectroscopy, photodissociation and vibrational predissociation, cage effects, interphase dynamics, reaction dynamics and energy transfer in clusters, dense fluids, liquids, solids and biophysical systems. The interdisciplinary nature of this research area was deliberated by intensive and extensive interactions between modern theory and advanced experimental methods. This volume provides a record of the invited lectures at the Symposium.
Author: Rudolf K. Allemann
Author: Rudolf K. Allemann
Author: E. Bright Wilson
Author: Thomas Elsaesser
Author: Johannes Kästner
Author: L.I. Krishtalik
Author: Johannes Kästner
Author: Piotr Paneth
Author: Hiroki Nakamura
Author: Amnon Kohen
Author: Joshua Jortner