Structure and Bonding

Martín-Fernández, Carlos; Macgregor, Stuart A.

This volume showcases state-of-the-art computational methodologies for the description and analysis of non-covalent interactions. Each chapter focusses on a specific approach, outlining a theoretical framework for the method in hand that is then illustrated by cutting-edge applications. A range of energy decomposition analyses and real-space topological and geometrical schemes are covered, providing a menu of approaches from which to draw insight into non-covalent interactions. The book serves as a comprehensive resource for computational chemists, as well as experimental chemists seeking to understand how computational techniques can be applied in their research.

Details

Published by: Springer

Publication Date: 2025-10-28

Format: Hardcover

ISBN-13: 9783032015426

DOI: 10.1007/978-3-032-01543-3

Dimensions: 235cm x155cm

Pages: 314