TY - RPRT TI - Modeling carbon nanostructures with the self-consistent charge density-functional tight-binding method: vibrational spectra and electronic structure of C(28), C(60), and C(70). AU - Henryk A Witek AU - Stephan Irle AU - Guishan Zheng AU - Wibe A de Jong AU - Keiji Morokuma PY - 2006 DO - 10.1063/1.2370877 UR - https://pubmed.ncbi.nlm.nih.gov/17166039/ ID - 17166039 ER -