- 516 pages
- English
- ePUB (mobile friendly)
- Available on iOS & Android
eBook - ePub
About this book
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.
- 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 studying
- Presents a complete guide to the key concepts and fundamental principles of aromaticity
- Provides guidance on identifying which variables should be modified to tune the properties of an aromatic system for different potential applications
Frequently asked questions
Yes, you can cancel anytime from the Subscription tab in your account settings on the Perlego website. Your subscription will stay active until the end of your current billing period. Learn how to cancel your subscription.
No, books cannot be downloaded as external files, such as PDFs, for use outside of Perlego. However, you can download books within the Perlego app for offline reading on mobile or tablet. Learn more here.
Perlego offers two plans: Essential and Complete
- Essential is ideal for learners and professionals who enjoy exploring a wide range of subjects. Access the Essential Library with 800,000+ trusted titles and best-sellers across business, personal growth, and the humanities. Includes unlimited reading time and Standard Read Aloud voice.
- Complete: Perfect for advanced learners and researchers needing full, unrestricted access. Unlock 1.4M+ books across hundreds of subjects, including academic and specialized titles. The Complete Plan also includes advanced features like Premium Read Aloud and Research Assistant.
We are an online textbook subscription service, where you can get access to an entire online library for less than the price of a single book per month. With over 1 million books across 1000+ topics, we’ve got you covered! Learn more here.
Look out for the read-aloud symbol on your next book to see if you can listen to it. The read-aloud tool reads text aloud for you, highlighting the text as it is being read. You can pause it, speed it up and slow it down. Learn more here.
Yes! You can use the Perlego app on both iOS or Android devices to read anytime, anywhere — even offline. Perfect for commutes or when you’re on the go.
Please note we cannot support devices running on iOS 13 and Android 7 or earlier. Learn more about using the app.
Please note we cannot support devices running on iOS 13 and Android 7 or earlier. Learn more about using the app.
Yes, you can access Aromaticity by Israel Fernandez in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Physical & Theoretical Chemistry. We have over one million books available in our catalogue for you to explore.
Information
Table of contents
- Title of Book
- Cover image
- Title page
- Table of Contents
- Aromaticity
- Copyright
- Table of Contents
- Contributors
- Foreword
- 1 Aromaticity in molecules and transition structures: from atomic and molecular orbitals to simple ring current models
- 2 Overview of the computational methods to assess aromaticity
- 3 Molecular geometry as a source of electronic structure of π-electron systems and their physicochemical properties
- 4 NICS—Nucleus-independent Chemical Shift
- 5 Current density, current-density pathways, and molecular aromaticity
- 6 Quantifying aromaticity according to the energetic criterion
- 7 Aromaticity descriptors based on electron delocalization
- 8 The electron density of delocalized bonds (EDDBs) as a measure of local and global aromaticity
- 9 Conceptual density functional theory and aromaticity
- 10 Antiaromatic compounds: a brief history, applications, and the many ways they escape antiaromaticity
- 11 Cycloaromatization reactions
- 12 Baird aromaticity in excited states and open-shell ground states
- 13 Global aromaticity in 2D macrocyclic polyradicaloids and 3D fully conjugated molecular cages
- 14 Spherical aromaticity in inorganic chemistry
- Index