Diborane–tetraborane conversion in C60 vesicles—a theoretical study
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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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