The Application of Quantum Mechanics in Reactivity of Molecules
Material type: TextPublication details: Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2021Description: 1 electronic resource (182 p.)ISBN:- 9783036506586
Item type | Current library | Call number | Status | Date due | Barcode | |
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E-Book | Directory of Open Access Books | Not For Loan |
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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