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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Theoretical Treatments of Hydrogen Bonding (Hardcover)
Loot Price: R9,701
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Theoretical Treatments of Hydrogen Bonding (Hardcover)
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Hydrogen bonding is crucial in many chemical and biochemical
reactions, as well as in determining material properties. A good
insight into the theoretical methods of treating hydrogen bonding
is essential for those wishing to model its effects computationally
in a wide range of fields involving hydrogen bonding, as well as
those wishing to extract the maximal amount of information from
experimental data. Theoretical Treatments of Hydrogen Bonding
presents the reader with the state of the art of the key
theoretical approaches to hydrogen bonding and considers the
hydrogen bond from the various aspects. The first five chapters are
devoted to the methods used for treating the electronic basis of
hydrogen bonding, including a consideration of the electrostatic
model, density functional theory and molecular orbital methods.
Later chapters consider the dynamics of hydrogen bonds with
particular attention to the treatment of proton transfer;
manifestations of dynamics as reflected in infrared spectra and
nuclear magnetic relaxation are also considered. Hydrogen bonding
in liquids and solids such as ferroelectrics are included. The book
concludes with an epilogue which discusses the likely development
of hydrogen bond computations in very large chemical systems.
Theoretical Treatments of Hydrogen Bonding offers the reader a
comprehensive view of the current theoretical approaches to
hydrogen bonding. It is a valuable presentation of theoretical
tools useful to those looking for the most appropriate approach for
treating a particular problem involving hydrogen bonding.
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