Tunnelling in Molecules

Tunnelling in Molecules

Author: Johannes Kästner

Publisher: Royal Society of Chemistry

Published: 2020-09-22

Total Pages: 453

ISBN-13: 1839160381

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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.


The Tunnel Effect in Chemistry

The Tunnel Effect in Chemistry

Author: Ronald Percy Bell

Publisher: Springer

Published: 2013-11-11

Total Pages: 231

ISBN-13: 148992891X

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The suggestion that quantum-mechanical tunnelling might be a significant factor in some chemical reactions was first made fifty years ago by Hund, very soon after the principles of wave mechanics had been established by de Broglie, Schrodinger and Heisenberg, and similar ideas were put forward during the following thirty years by a number of authors. It was realised from the beginning that such effects would be particularly prominent in reactions involving the movement of protons or hydrogen atoms, and both theoretical and experimental work received a powerful stimulus in the discovery of deuterium in 1932. During the last twenty years theoretical predictions about the tunnel effect have been supported by an increasing body of experimental evidence, derived especially from studies of hydrogen isotope effects. The present book presents an attempt to summarize this evidence and to indicate the main lines of the basic theory. Details of mathematical manipu lation are restricted mainly to Chapter 2 and the Appendices, and many readers may prefer to confine themselves to the results obtained. The main emphasis has been on the kinetics of chemical reactions involving the transfer of protons, hydrogen atoms or hydride ions, although Chapter 6 gives an account of the role of the tunnel effect in molecular spectra, and Chapter 7 makes some mention of tunnelling in solid state phenomena, biological processes and the electrolytic discharge of hydrogen. Only passing references have been made to tunnelling by electrons.


University Physics

University Physics

Author: OpenStax

Publisher:

Published: 2016-11-04

Total Pages: 622

ISBN-13: 9781680920451

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University Physics is a three-volume collection that meets the scope and sequence requirements for two- and three-semester calculus-based physics courses. Volume 1 covers mechanics, sound, oscillations, and waves. Volume 2 covers thermodynamics, electricity and magnetism, and Volume 3 covers optics and modern physics. This textbook emphasizes connections between between theory and application, making physics concepts interesting and accessible to students while maintaining the mathematical rigor inherent in the subject. Frequent, strong examples focus on how to approach a problem, how to work with the equations, and how to check and generalize the result. The text and images in this textbook are grayscale.


Quantum Tunnelling in Enzyme-catalysed Reactions

Quantum Tunnelling in Enzyme-catalysed Reactions

Author: Rudolf K. Allemann

Publisher: Royal Society of Chemistry

Published: 2009

Total Pages: 412

ISBN-13: 0854041222

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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.


Molecular Quantum Mechanics

Molecular Quantum Mechanics

Author: Peter W. Atkins

Publisher: Oxford University Press

Published: 2011

Total Pages: 552

ISBN-13: 0199541426

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This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.


Physical Chemistry for the Biosciences

Physical Chemistry for the Biosciences

Author: Raymond Chang

Publisher: University Science Books

Published: 2005-02-11

Total Pages: 706

ISBN-13: 9781891389337

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This book is ideal for use in a one-semester introductory course in physical chemistry for students of life sciences. The author's aim is to emphasize the understanding of physical concepts rather than focus on precise mathematical development or on actual experimental details. Subsequently, only basic skills of differential and integral calculus are required for understanding the equations. The end-of-chapter problems have both physiochemical and biological applications.


Quantum Aspects of Life

Quantum Aspects of Life

Author: Derek Abbott

Publisher: Imperial College Press

Published: 2008

Total Pages: 469

ISBN-13: 1848162537

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This book presents the hotly debated question of whether quantum mechanics plays a non-trivial role in biology. In a timely way, it sets out a distinct quantum biology agenda. The burgeoning fields of nanotechnology, biotechnology, quantum technology, and quantum information processing are now strongly converging. The acronym BINS, for Bio-Info-Nano-Systems, has been coined to describe the synergetic interface of these several disciplines. The living cell is an information replicating and processing system that is replete with naturally-evolved nanomachines, which at some level require a quantum mechanical description. As quantum engineering and nanotechnology meet, increasing use will be made of biological structures, or hybrids of biological and fabricated systems, for producing novel devices for information storage and processing and other tasks. An understanding of these systems at a quantum mechanical level will be indispensable.


Molecular Spectroscopy and Quantum Dynamics

Molecular Spectroscopy and Quantum Dynamics

Author: Roberto Marquardt

Publisher: Elsevier

Published: 2020-09-18

Total Pages: 376

ISBN-13: 0128172355

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Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. - Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion - Presents the most recent developments in the detection and interpretation of ultra-fast phenomena - Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure