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Aromaticity - Modern Computational Methods and Applications (Paperback)
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Aromaticity - Modern Computational Methods and Applications (Paperback)
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Evaluating the aromaticity of a molecular system and the influence
of this concept on its properties is a crucial step in the
development of novel aromatic systems. Modern computational methods
can provide researchers with a high level of insight into such
aromaticity, but identifying the most appropriate method for
assessing a specific system can prove difficult. Aromaticity:
Modern Computational Methods and Applications reviews the latest
state-of-the-art computational methods in this field and discusses
their applicability for evaluating the aromaticity of a system. In
addition to covering aromaticity for typical organic molecules,
this volume also explores systems possessing transition metals in
their structures, macrocycles and even transition structures. The
influence of the aromaticity on the properties of these species
(including the structure, magnetic properties and reactivity) is
highlighted, along with potential applications in fields including
materials science and medicinal chemistry. Finally, the
controversial and fuzzy nature of aromaticity as a concept is
discussed, providing the basis for an updated and more
comprehensive definition of this concept. Drawing on the knowledge
of an international team of experts, Aromaticity: Modern
Computational Methods and Applications is a unique guide for anyone
researching, studying or applying principles of aromaticity in
their work, from computational and organic chemists to
pharmaceutical and materials scientists.
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