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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Crystals as Giant Molecules (Paperback, Softcover reprint of the original 1st ed. 1978)
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Discovery Miles 12 700
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Crystals as Giant Molecules (Paperback, Softcover reprint of the original 1st ed. 1978)
Series: Lecture Notes in Chemistry, 9
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Traditionally, when one deals with crystals, the first property to
be presented is the periodicity of the lattice, and all methods of
study are based on this characteristic, which is considered
essential. In fact, crystals differ from the molecules of finite
size that are studied in chemistry, only in their extremely large
number of particles. Furthermore, the existence of faces, which
limit the spread of crystals in space, necessarily breaks the
periodicity of the system. For these reasons it is natural to apply
to crystals the concepts and methods that have been widely tested
in the study of molecules. Pauling first emphasized this point 1
and used it to explain the electronic structure of crystals,
thought to be infinite and perfect. The aim of this work is to
show, with the help of a few examples, the possibilities offered by
quantum chemistry for tackling the problems of crystal electronic
structure, of crystallographic arrangements as well as their
macroscopic shape, and of distortion effects caused by the presence
of faces. The area related to the existence of energy bands
(allowed or forbidden), gap, electric, magnetic or optical
properties will not be touched upon.
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