Reprint

The Application of Quantum Mechanics in Reactivity of Molecules

Edited by
March 2021
182 pages
  • ISBN978-3-0365-0658-6 (Hardback)
  • ISBN978-3-0365-0659-3 (PDF)

This is a Reprint of the Special Issue The Application of Quantum Mechanics in Reactivity of Molecules that was published in

Biology & Life Sciences
Chemistry & Materials Science
Computer Science & Mathematics
Engineering
Environmental & Earth Sciences
Physical Sciences
Summary
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.

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