2006

1. Optical absorption spectra of v4+ isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theory

   Journal of Computational and Theoretical Nanoscience

2. Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory

   Journal of Chemical Physics, Vol. 125, Núm. 7