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Principles and Applications of Density Functional Theory in Inorganic Chemistry II (Hardcover, 2004 ed.)
Loot Price: R8,558
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Principles and Applications of Density Functional Theory in Inorganic Chemistry II (Hardcover, 2004 ed.)
Series: Structure and Bonding, 113
Expected to ship within 12 - 17 working days
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It is difficult to overestimate the impact that density functional
theory has had on computational quantum chemistry over the last two
decades. Indeed, this period has seen it grow from little more than
a theoreticalcuriosity to become a central tool in the
computational chemist s armoury. Arguably no area of ch- istry has
benefited more from the meteoric rise in density functional theory
than inorganic chemistry. the ability to obtainreliable results in
feasible ti- scales on systems containing heavy elements such as
the d and f transition - tals has led to an enormous growth in
computational inorganic chemistry. The inorganic chemical
literature reflects this growth; it is almost impossible to open a
modern inorganic chemistry journal without finding several papers
devoted exclusively or in part to density functional theory
calculations. The real imp- tance of the rise in density functional
theory in inorganic chemistry is undou- edly the much closer
synergy between theory and experiment than was p- viously posible.
In these volumes, world-leading researchers describe recent
developments in the density functional theory and its applications
in modern inorganic and b- inorganic chemistry. These articles
address key issues key issues in both sol- state and molecular
inorganic chemistry, such as spectroscopy, mechanisms, catalysis,
bonding and magnetism. The articles in volume I are more focussed
on advances in density functional methodogy, while those in Volume
II deal more with applications, although this is by no means a
rigid distinction.
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