Computational Methods for the Analysis of Non-covalent Interactions by Carlos Martín-Fernández

Computational Methods for the Analysis of Non-covalent Interactions

Kindle Edition

Carlos Martín-Fernández, Stuart A. Macgregor

Springer Nature · Ebook · October 28, 2025

This volume showcases state-of-the-art computational methodologies for the description and analysis of non-covalent interactions.

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Who it’s for
Chapter-by-chapter approaches connect theoretical frameworks with applications to analyze non-covalent interactions.
Genres
Molecular Modeling, Physical Chemistry
Published
Springer Nature, October 28, 2025

About this book

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.

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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.

Energy Decomposition

Chapter-by-chapter approaches connect theoretical frameworks with applications to analyze non-covalent interactions.

Come here for

  • Energy decomposition analyses
  • Real-space topological schemes and geometrical schemes

Expect

  • Each chapter focuses on a specific approach
  • A menu of computational approaches to non-covalent interactions

Where it sits

Molecular Modeling99%
Physical Chemistry75%

Percentages are BookFrontier’s reading of the book.

Publisher categories

  • Chemistry
Authors
Carlos Martín-Fernández, Stuart A. Macgregor
Publisher
Springer Nature
Published
October 28, 2025
Format
Ebook
Reading lane
Chemistry