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- W1750227881 abstract "Electronic states are calculated by the DV-Xα-LCAO method for two model clusters C 60 Si 101 H 60 and C 70 Si 101 H 60 of the C 60 /Si(111) and C 70 /Si(111) surfaces where fullerene molecules reside at the center of the unfaulted half of the 7×7 unit cell. For the C 60 molecule, occupied (unocupied) orbitals near the Fermi level have high charge density around double bonds between two hexagons (around single bonds on pentagons). For the C 70 molecule, both occupied and unoccupied orbitals have high charge density around single bonds. The charge density of an individual occupied (unoccupied) orbital has a shape like a trigonal doughnut (clover leaves) over the C 60 molecule, and it is high in three (four) regions over the C 70 molecule which is nearly C s (D 2 ) symmetry. These should be compared with the scanning tunneling microscopy images." @default.
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- W1750227881 date "1996-02-01" @default.
- W1750227881 modified "2023-10-14" @default.
- W1750227881 title "ELECTRONIC STATES OF <font>C</font><sub>60</sub> AND <font>C</font><sub>70</sub> MOLECULES ON Si(111)-(7×7) SURFACE" @default.
- W1750227881 doi "https://doi.org/10.1142/s0218625x96001649" @default.
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