DFT calculations of vibrational frequencies of carbon-nitrogen clusters: Raman spectra of carbon nitrides

• Main Authors: Rosli, A.N., Zabidi, N.A., Kassim, H.A., Shrivastava, K.N.
• Format: Article
• Published: Kluwer (now part of Springer) 2010
• Subjects: R Medicine
• Online Access: http://eprints.um.edu.my/13365/

We have performed the calculation of structures of clusters containing carbon and nitrogen atoms. We determine the bond lengths in each case. We also calculate the vibrational frequencies of all of the clusters. We compare the calculated values of the vibrational frequencies with those measured by t...