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Concepts and Methods in Modern Theoretical Chemistry - Electronic Structure and Reactivity (Hardcover, New)
Loot Price: R3,586
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Concepts and Methods in Modern Theoretical Chemistry - Electronic Structure and Reactivity (Hardcover, New)
Expected to ship within 12 - 17 working days
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Concepts and Methods in Modern Theoretical Chemistry: Electronic
Structure and Reactivity, the first book in a two-volume set,
focuses on the structure and reactivity of systems and phenomena. A
new addition to the series Atoms, Molecules, and Clusters, this
book offers chapters written by experts in their fields. It enables
readers to learn how concepts from ab initio quantum chemistry and
density functional theory (DFT) can be used to describe,
understand, and predict electronic structure and chemical
reactivity. This book covers a wide range of subjects, including
discussions on the following topics: DFT, particularly the
functional and conceptual aspects Excited states, molecular
electrostatic potentials, and intermolecular interactions General
theoretical aspects and application to molecules Clusters and
solids, electronic stress, and electron affinity difference The
information theory and the virial theorem New periodic tables The
role of the ionization potential Although most of the chapters are
written at a level that is accessible to a senior graduate student,
experienced researchers will also find interesting new insights in
these experts' perspectives. This comprehensive book provides an
invaluable resource toward understanding the whole gamut of atoms,
molecules, and clusters.
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