Please check our recently published book “The Application of Quantum Mechanics in Reactivity of Molecules”, edited by Dr. Sérgio F. Sousa.
The Application of Quantum Mechanics in Reactivity of Molecules
Edited by Sérgio F. Sousa (182 pages)
www.mdpi.com/books/pdfview/book/3524 | ISBN 978-3-0365-0659-3 (PDF)
Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.