Theoretical and Computational Chemistry

This series:

This series addresses the need of theoretical and computational chemists for high quality books on key foundational and developing topics. The topics covered are drawn from the theoretical and computational chemistry focus area, spanning a variety of computational approaches (electronic structure methods, molecular mechanics, molecular dynamics, cheminformatics) and systems ranging from small molecules to different materials and biopolymers. The volumes of the Theoretical and Computational Chemistry series include the theoretical and computational applications related to structure, properties, energetics, reaction mechanisms, weak interactions, catalysis, and reaction rates involving atoms, molecules, clusters, nano- and biomaterials, surfaces, and bulk matter.

This book series also compliments the Elsevier Computational and Theoretical Chemistryopens in new tab/window journal.

Series Editors: The first volume in this series published back in December 1994, with Peter Politzer and Zvonimir B. Maksić as the original series editors starting in 1993. Jane S. Murray subsequently acted as a co-Editor with Peter Politzer from the mid-2000s until Peter sadly passed away in early 2022. Dina Tandabany and Elena Jakubikova worked brilliantly to help revive the book series with some new titles and directions from 2023 onwards, with Elena unfortunately stepping down due to other commitments in 2026.