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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Theory And Application Of Quantum Molecular Dynamics (Hardcover)
Loot Price: R2,686
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Theory And Application Of Quantum Molecular Dynamics (Hardcover)
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This book provides a detailed presentation of modern quantum
theories for treating the reaction dynamics of small molecular
systems. Its main focus is on the recent development of successful
quantum dynamics theories and computational methods for studying
the molecular reactive scattering process, with specific
applications given in detail for a number of benchmark chemical
reaction systems in the gas phase and the gas surface. In contrast
to traditional books on collision in physics focusing on abstract
theory for nonreactive scattering, this book deals with both the
development and the application of the modern reactive or
rearrangement scattering theory, and is written in a fashion in
which the development of the reactive scattering theory is closely
coupled with its computational aspects for practical applications
for realistic molecular reactions. The volume includes such topics
as methods for calculating rovibrational states of molecules,
fundamental quantum theory for scattering (nonreactive and
reactive), modern time-independent computational methods for
reactive scattering, general time-dependent wave packet methods for
reactive scattering, dynamics theory of chemical reactions,
dynamics of molecular fragmentation, semiclassical description of
quantum mechanics, and also some useful appendices.The book is
intended for the reader to not only understand the molecular
reaction dynamics from the fundamental scattering theory, but also
utilize the provided computational methodologies in their practical
applications. It should benefit graduate students and researchers
in the field of chemical physics.
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