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Heterobuckybowls: a theoretical study on the structure, bowl-to-bowl i...
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Hybrid density functional theory (DFT) calculations at the B3LYP/cc-pVDZ level have been performed on a series of heterobuckybowls, 3X, C(18)X(3)H(6) (X = O, NH, CH(2), BH, S, PH, PH(3), Si, SiH(2), a...
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Uploaded: 2001-10-2
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