TY  - JOUR
AU  - Jovanović, Tamara
AU  - Koruga, Đuro
AU  - Jovančićević, Branimir
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1769
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 C-84 isomer of D-2 symmetry is confirmed, based IT 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. (C) 2014 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Sa, Lausanne
T2  - Diamond and Related Materials
T1  - The electronic structure and vibrational frequencies of the stable C-84 isomer of D-2 symmetry: theory and experiment
VL  - 44
SP  - 44
EP  - 48
DO  - 10.1016/j.diamond.2014.02.004
ER  - 

@article{
author = "Jovanović, Tamara and Koruga, Đuro and Jovančićević, Branimir",
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 C-84 isomer of D-2 symmetry is confirmed, based IT 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. (C) 2014 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Diamond and Related Materials",
title = "The electronic structure and vibrational frequencies of the stable C-84 isomer of D-2 symmetry: theory and experiment",
volume = "44",
pages = "44-48",
doi = "10.1016/j.diamond.2014.02.004"
}

Jovanović, T., Koruga, Đ.,& Jovančićević, B.. (2014). The electronic structure and vibrational frequencies of the stable C-84 isomer of D-2 symmetry: theory and experiment. in Diamond and Related Materials
Elsevier Science Sa, Lausanne., 44, 44-48.
https://doi.org/10.1016/j.diamond.2014.02.004

Jovanović T, Koruga Đ, Jovančićević B. The electronic structure and vibrational frequencies of the stable C-84 isomer of D-2 symmetry: theory and experiment. in Diamond and Related Materials. 2014;44:44-48.
doi:10.1016/j.diamond.2014.02.004 .

Jovanović, Tamara, Koruga, Đuro, Jovančićević, Branimir, "The electronic structure and vibrational frequencies of the stable C-84 isomer of D-2 symmetry: theory and experiment" in Diamond and Related Materials, 44 (2014):44-48,
https://doi.org/10.1016/j.diamond.2014.02.004 . .