Molecular and electronic structures of endohedral fullerenes, Sc2C2@C3v–C82 and Sc2@C3v–C82: Benchmark for SCC-DFTB and proposal of new inner cluster structures
Yoshio Nishimoto, Zhi Wang, Keiji Morokuma, Stephan IrleVolume:
249
Year:
2012
Language:
english
Pages:
11
DOI:
10.1002/pssb.201100767
File:
PDF, 857 KB
english, 2012