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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Electron, Spin and Momentum Densities and Chemical Reactivity (Hardcover, 2000 ed.)
Loot Price: R4,197
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Electron, Spin and Momentum Densities and Chemical Reactivity (Hardcover, 2000 ed.)
Series: Understanding Chemical Reactivity, 21
Expected to ship within 18 - 22 working days
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The electron density of a nondegenerate ground state system
determines essentially all physical properties of the system. This
statement of the Hohenberg-Kohn theorem of Density Functional
Theory plays an exceptionally important role among all the
fundamental relations of molecular physics. Electron densities
provide detailed information that gives important insight into the
fundamentals of molecular structure and a better understanding of
chemical reactions. If the functional form of a molecular electron
density is known, then various molecular properties affecting
reactivity can be determined by quantum chemical computational
techniques or alternative approximate methods. This book contains a
selection of chapters based on papers given at the 12th conference
of the Commission of Charge, Spin and Momentum Density of the
International Union for Crystallography, held in Waskiesiu, Prince
Albert National Park, Canada, on July 27 - August 1, 1997. The
choice of topics represents some of the latest advances in the
field of electron, spin, and momentum densities and the analysis of
these densities with respect to their roles in determining chemical
reactivity. This book provides an exciting collection of accounts
of the latest advances, and also provides further motivation for
new research to address some of the challenging, unsolved problems
of the fascinating interrelations between electron, spin, and
momentum densities, and the complex subject of chemical reactivity.
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