Electron Localization-Delocalization Matrices

by Ronald Cook, Cherif F. Matta, Paul W. Ayers

This book builds bridges between two yet separated branches of theoretical and mathematical chemistry: Chemical Graph Theory and Electronic Structure Calculations. Although either of the fields have developed their own techniques, problems, methods, and favorite benchmark cases independent from each other, the authors have managed to bring them together by using the localization-delocalization matrix (LDM). The LDM is a novel molecular descriptor...

• Format: Hardcover
• Language: English
• ISBN: 3031514327
• ISBN13: 9783031514326
• Release Date: May 2024
• Publisher: Springer
• Length: 222 Pages
• Weight: 1.24 lbs.
• Dimensions: 0.7" x 6.4" x 9.3"