Endohedrally palladium doped Si-60-ZINDO/1 treatment

2001-07-16
Türker, Burhan Lemi
Endohedrally palladium atom doped Si-60, Pd@Si-60 is compared with Si-60 molecule structurally and quantum chemically by using ZINDO/1 (RHF) type semiempirical approach. The results indicate that donor-acceptor type pi -interaction between the Pd atom and Si-60 cage should occur, thus the dopant atom causes some geometry distortions and affects the molecular orbitals of Si-60.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

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Citation Formats
B. L. Türker, “Endohedrally palladium doped Si-60-ZINDO/1 treatment,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 45–49, 2001, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62373.