Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM

Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM

Ionic liquids (ILs) have lately piqued scientific attention due to their potential applications in green transition technologies such as catalysis, electrochemistry, and photovoltaic. The investigation of structural stability, reactivity, topological analysis, and thermodynamics of 4-methylpridine (...

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Bibliographic Details
Main Authors: Ededet A. Eno, Hitler Louis, Tomsmith O. Unimuke, Terkumbur E. Gber, Idongesit J. Mbonu, Chinwendu J. Ndubisi, Stephen A. Adalikwu
Format: Article
Language:English
Published: Elsevier 2022-06-01
Series:Journal of Ionic Liquids
Subjects:
Methylpyridinium
Ionic liquids
DFT
QTAIM
NCI
Online Access:http://www.sciencedirect.com/science/article/pii/S2772422022000143

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http://www.sciencedirect.com/science/article/pii/S2772422022000143

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