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The Application of Quantum Mechanics in Reactivity of Molecules

By: Contributor(s): Material type: TextTextPublication details: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2021Description: 1 electronic resource (182 p.)ISBN:
  • 9783036506586
Subject(s): Online resources: 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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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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