collaborators

1 paper

cond-mat.mtrl-sci2002

Predicted Infrared and Raman Spectra for Neutral Ti_8C_12 Isomers

Tunna Baruah, Mark R. Pederson, M. L. Lyn +1

Using a density-functional based algorithm, the full IR and Raman spectra are calculated for the neutral Ti_8C_12 cluster assuming geometries of Th, Td, D2d and C3v symmetry. The T…