The Application of Quantum Mechanics in Reactivity of Molecules

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 b...

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Bibliografische gegevens
Andere auteurs: Sousa, Sérgio F. (Redacteur)
Formaat: Elektronisch Hoofdstuk
Taal:Engels
Gepubliceerd in: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2021
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Samenvatting: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.
Fysieke beschrijving:1 electronic resource (182 p.)
ISBN:books978-3-0365-0659-3
9783036506586
9783036506593
Toegang:Open Access