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Conceptual Density Functional Theory and Its Application in the Chemical Domain (Hardcover)
Loot Price: R3,695
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Conceptual Density Functional Theory and Its Application in the Chemical Domain (Hardcover)
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Total price: R3,715
Discovery Miles: 37 150
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In this book, new developments based on conceptual density
functional theory (CDFT) and its applications in chemistry are
discussed. It also includes discussion of some applications in
corrosion and conductivity and synthesis studies based on CDFT. The
electronic structure principles-such as the electronegativity
equalization principle, the hardness equalization principle, the
electrophilicity equalization principle, and the nucleophilicity
equalization principle, along studies based on these electronic
structure principles-are broadly explained. In recent years some
novel methodologies have been developed in the field of CDFT. These
methodologies have been used to explore mutual relationships
between the descriptors of CDFT, namely electronegativity,
hardness, etc. The mutual relationship between the
electronegativity and the hardness depend on the electronic
configuration of the neutral atomic species. The volume attempts to
cover almost all such methodology. Conceptual Density Function
Theory and Its Application in the Chemical Domain will be an
appropriate guide for research students as well as the supervisors
in PhD programs. It will also be valuable resource for inorganic
chemists, physical chemists, and quantum chemists. The reviews,
research articles, short communications, etc., covered by this book
will be appreciated by theoreticians as well as experimentalists.
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