2024
DOI: 10.1039/d3cp05952a
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Structural and thermochemical investigation of 1,3-bis(λ4-boraneyl)-1λ4,3λ4-imidazolidine adduct for chemical hydrogen storage

Fathima Rifana Mohamed Irfan,
Sarah L. Masters

Abstract: The structure, thermochemical properties and reaction pathways of a cyclic amine diborane complex (1,3-bis(λ4-boraneyl)-1λ4,3λ4-imidazolidine) were investigated using high-level quantum calculations. Structural and thermochemical analysis revealed that the simultaneous and spontaneous...

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