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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Molecular Quantum Dynamics - From Theory to Applications (Paperback, Softcover reprint of the original 1st ed. 2014)
Loot Price: R4,488
Discovery Miles 44 880
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Molecular Quantum Dynamics - From Theory to Applications (Paperback, Softcover reprint of the original 1st ed. 2014)
Series: Physical Chemistry in Action
Expected to ship within 18 - 22 working days
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This book focuses on current applications of molecular quantum
dynamics. Examples from all main subjects in the field, presented
by the internationally renowned experts, illustrate the importance
of the domain. Recent success in helping to understand experimental
observations in fields like heterogeneous catalysis,
photochemistry, reactive scattering, optical spectroscopy, or
femto- and attosecond chemistry and spectroscopy underline that
nuclear quantum mechanical effects affect many areas of chemical
and physical research. In contrast to standard quantum chemistry
calculations, where the nuclei are treated classically, molecular
quantum dynamics can cover quantum mechanical effects in their
motion. Many examples, ranging from fundamental to applied
problems, are known today that are impacted by nuclear quantum
mechanical effects, including phenomena like tunneling, zero point
energy effects, or non-adiabatic transitions. Being important to
correctly understand many observations in chemical, organic and
biological systems, or for the understanding of molecular
spectroscopy, the range of applications covered in this book
comprises broad areas of science: from astrophysics and the physics
and chemistry of the atmosphere, over elementary processes in
chemistry, to biological processes (such as the first steps of
photosynthesis or vision). Nevertheless, many researchers refrain
from entering this domain. The book "Molecular Quantum Dynamics"
offers them an accessible introduction. Although the calculation of
large systems still presents a challenge - despite the considerable
power of modern computers - new strategies have been developed to
extend the studies to systems of increasing size. Such strategies
are presented after a brief overview of the historical background.
Strong emphasis is put on an educational presentation of the
fundamental concepts, so that the reader can inform himself about
the most important concepts, like eigenstates, wave packets,
quantum mechanical resonances, entanglement, etc. The chosen
examples highlight that high-level experiments and theory need to
work closely together. This book thus is a must-read both for
researchers working experimentally or theoretically in the
concerned fields, and generally for anyone interested in the
exciting world of molecular quantum dynamics.
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