Chemical Reactivity - Volume 2: Approaches and Applications (Paperback)

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.

General

Imprint:	Elsevier - Health Sciences Division
Country of origin:	United States
Release date:	May 2023
First published:	2023
Editors:	Savas Kaya • Laszlo Von Szentpaly • Goncagul Serdaroglu • Lei Guo
Dimensions:	229 x 152mm (L x W)
Format:	Paperback
Pages:	580
ISBN-13:	978-0-323-90259-5
Categories:	Books > Science & Mathematics > Chemistry > Physical chemistry > General
LSN:	0-323-90259-6
Barcode:	9780323902595

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