TY  - JOUR
AU  - Jovanović, Tamara
AU  - Koruga, Djuro
AU  - Jovančićević, B.
PY  - 2014
UR  - https://machinery.mas.bg.ac.rs/handle/123456789/5281
AB  - The validity of semi-empirical and DFT theoretical calculations in predicting the general pattern of IR absorption and vibrational frequencies, as well as the molecular structure of the C84 isomer of D2 symmetry is confirmed, based on recent experimental results. An excellent correlation was found between the previously reported theoretical data and the recently obtained experimental results for this molecule over the relevant spectral range for the identification of fullerenes. These results indicate that there is no error in the calculations in the significant infrared region, an assumption that was based on a previous comparison with partial experimental results.
T2  - Diamond & Related Materials
T1  - The electronic structure and vibrational frequencies of the stable C84 isomer of D2 symmetry: theory and experiment
EP  - 48
SP  - 44
VL  - 44
DO  - 10.1016/j.diamond.2014.02.004
ER  - 

@article{
author = "Jovanović, Tamara and Koruga, Djuro and Jovančićević, B.",
year = "2014",
abstract = "The validity of semi-empirical and DFT theoretical calculations in predicting the general pattern of IR absorption and vibrational frequencies, as well as the molecular structure of the C84 isomer of D2 symmetry is confirmed, based on recent experimental results. An excellent correlation was found between the previously reported theoretical data and the recently obtained experimental results for this molecule over the relevant spectral range for the identification of fullerenes. These results indicate that there is no error in the calculations in the significant infrared region, an assumption that was based on a previous comparison with partial experimental results.",
journal = "Diamond & Related Materials",
title = "The electronic structure and vibrational frequencies of the stable C84 isomer of D2 symmetry: theory and experiment",
pages = "48-44",
volume = "44",
doi = "10.1016/j.diamond.2014.02.004"
}

Jovanović, T., Koruga, D.,& Jovančićević, B.. (2014). The electronic structure and vibrational frequencies of the stable C84 isomer of D2 symmetry: theory and experiment. in Diamond & Related Materials, 44, 44-48.
https://doi.org/10.1016/j.diamond.2014.02.004

Jovanović T, Koruga D, Jovančićević B. The electronic structure and vibrational frequencies of the stable C84 isomer of D2 symmetry: theory and experiment. in Diamond & Related Materials. 2014;44:44-48.
doi:10.1016/j.diamond.2014.02.004 .

Jovanović, Tamara, Koruga, Djuro, Jovančićević, B., "The electronic structure and vibrational frequencies of the stable C84 isomer of D2 symmetry: theory and experiment" in Diamond & Related Materials, 44 (2014):44-48,
https://doi.org/10.1016/j.diamond.2014.02.004 . .