Add time:08/13/2019         Source:sciencedirect.com

Diborane–tetraborane conversion in a C60 cage is theoretically considered by using AM1-RHF type semiempirical quantum chemical approach. Molecular orbital characteristics of some endohedrally boron hydride doped C60 composite systems are investigated and the likeliness of diborane–tetraborane conversion in a C60 vesicle for the purpose of hydrogen storage is discussed.

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