Aromaticity

Name: Aromaticity
Brand: Elsevier Science Publishing Co Inc
SKU: 9780128227237
Price: 1328.21 RON
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Modern Computational Methods and Applications

Autor: Israel Fernandez

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Editura: Elsevier Science Publishing Co Inc

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Evaluating the aromaticity of a molecular system and the influence of this concept on its properties...

Informații despre carte

Autor

Israel Fernandez

Limbă

engleză

Legare

Carte - Carte broșată

Publicat

2021

Pagini

516

EAN

9780128227237

Enbook ID

33270862

Editura

Elsevier Science Publishing Co Inc

Greutate

820

Dimensiuni

152 x 229 x 26

Descriere completă

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 discusses, 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. Reviews a range of computational methods to assess the aromatic nature of different compounds, helping readers select the most useful tool for the system they are studyingPresents a complete guide to the key concepts and fundamental principles of aromaticityProvides guidance on identifying which variables should be modified to tune the properties of an aromatic system for different potential applications

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Aromaticity

Modern Computational Methods and Applications

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