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portada Chemical Reactivity: Volume 2: Approaches and Applications
Type
Physical Book
Publisher
Language
English
Pages
500
Format
Paperback
ISBN13
9780323902595
Edition No.
1

Chemical Reactivity: Volume 2: Approaches and Applications

Kaya, Savas (Author) · Elsevier · Paperback

Chemical Reactivity: Volume 2: Approaches and Applications - Kaya, Savas

Physical Book

£ 141.30

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Synopsis "Chemical Reactivity: Volume 2: Approaches and Applications"

The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Exploring both traditional and advanced methods, Chemical Reactivity, Volume 2: Approaches and Applications present the latest approaches and strategies for the computational assessment of chemical reactivity. Following an insightful introduction, the book begins with an overview of conformer searching techniques before progressing to explore numerous different techniques and methods, including confined environments, quantum similarity descriptors, volume-based thermodynamics and polarizability. A unified approach to the rules of aromaticity is followed by methods for assessing interaction energies and the role of electron density for varied different analyses. Algorithms for confirmer searching, partitioning and a whole range of quantum chemical methods are also discussed. Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 2: Approaches and Applications is a useful resource for both students and researchers interested in applying and refining their use of the latest approaches for assessing chemical reactivity in their own work.

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