Standard

Thermodynamic properties of the C70(OH)12 fullerenol in the temperature range T = 9.2 K to 304.5 K. / Podolsky, Nikita E.; Lelet, Maxim I.; Ageev, Sergei V.; Petrov, Andrey V.; Mazur, Anton S.; Iamalova, Nailia R.; Zakusilo, Dmitry N.; Charykov, Nikolay A.; Vasina, Lubov V.; Semenov, Konstantin N.; Murin, Igor V.

In: Journal of Chemical Thermodynamics, Vol. 144, 106029, 05.2020.

Research output: Contribution to journal › Article › peer-review

Harvard

Podolsky, NE, Lelet, MI, Ageev, SV, Petrov, AV, Mazur, AS, Iamalova, NR, Zakusilo, DN, Charykov, NA, Vasina, LV, Semenov, KN & Murin, IV 2020, 'Thermodynamic properties of the C70(OH)12 fullerenol in the temperature range T = 9.2 K to 304.5 K', Journal of Chemical Thermodynamics, vol. 144, 106029. https://doi.org/10.1016/j.jct.2019.106029, https://doi.org/10.1016/j.jct.2019.106029

APA

Podolsky, N. E., Lelet, M. I., Ageev, S. V., Petrov, A. V., Mazur, A. S., Iamalova, N. R., Zakusilo, D. N., Charykov, N. A., Vasina, L. V., Semenov, K. N., & Murin, I. V. (2020). Thermodynamic properties of the C70(OH)12 fullerenol in the temperature range T = 9.2 K to 304.5 K. Journal of Chemical Thermodynamics, 144, [106029]. https://doi.org/10.1016/j.jct.2019.106029, https://doi.org/10.1016/j.jct.2019.106029

Vancouver

Podolsky NE, Lelet MI, Ageev SV, Petrov AV, Mazur AS, Iamalova NR et al. Thermodynamic properties of the C70(OH)12 fullerenol in the temperature range T = 9.2 K to 304.5 K. Journal of Chemical Thermodynamics. 2020 May;144. 106029. https://doi.org/10.1016/j.jct.2019.106029, https://doi.org/10.1016/j.jct.2019.106029

Author

Podolsky, Nikita E. ; Lelet, Maxim I. ; Ageev, Sergei V. ; Petrov, Andrey V. ; Mazur, Anton S. ; Iamalova, Nailia R. ; Zakusilo, Dmitry N. ; Charykov, Nikolay A. ; Vasina, Lubov V. ; Semenov, Konstantin N. ; Murin, Igor V. / Thermodynamic properties of the C70(OH)12 fullerenol in the temperature range T = 9.2 K to 304.5 K. In: Journal of Chemical Thermodynamics. 2020 ; Vol. 144.

BibTeX

@article{d1bdecab7b0a48129117a6826284e2cd,
title = "Thermodynamic properties of the C70(OH)12 fullerenol in the temperature range T = 9.2 K to 304.5 K",
abstract = "The paper is devoted to thermodynamic investigation of polyhydroxylated fullerene C70(OH)12. The measurement of fullerenol's isobaric heat capacity in the temperature range T = 9.2 K–304.5 K was performed, as well as the standard thermodynamic functions: Sm°, [Hm°(T) − Hm°(0)] and [Фm°(T) − Фm°(0)] were calculated. Additionally, the complex thermal analysis was conducted for investigation of thermal properties of C70(OH)12. The quantum chemistry approach was used in order to calculate the electronic structure, thermodynamic properties, and NMR spectra for C70(OH)12 isomers.",
keywords = "DFT, Entropy, Fullerenol, Gibbs energy, Isobaric heat capacity",
author = "Podolsky, {Nikita E.} and Lelet, {Maxim I.} and Ageev, {Sergei V.} and Petrov, {Andrey V.} and Mazur, {Anton S.} and Iamalova, {Nailia R.} and Zakusilo, {Dmitry N.} and Charykov, {Nikolay A.} and Vasina, {Lubov V.} and Semenov, {Konstantin N.} and Murin, {Igor V.}",
note = "Publisher Copyright: {\textcopyright} 2019 Elsevier Ltd",
year = "2020",
month = may,
doi = "10.1016/j.jct.2019.106029",
language = "English",
volume = "144",
journal = "Journal of Chemical Thermodynamics",
issn = "0021-9614",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Thermodynamic properties of the C70(OH)12 fullerenol in the temperature range T = 9.2 K to 304.5 K

AU - Podolsky, Nikita E.

AU - Lelet, Maxim I.

AU - Ageev, Sergei V.

AU - Petrov, Andrey V.

AU - Mazur, Anton S.

AU - Iamalova, Nailia R.

AU - Zakusilo, Dmitry N.

AU - Charykov, Nikolay A.

AU - Vasina, Lubov V.

AU - Semenov, Konstantin N.

AU - Murin, Igor V.

N1 - Publisher Copyright: © 2019 Elsevier Ltd

PY - 2020/5

Y1 - 2020/5

N2 - The paper is devoted to thermodynamic investigation of polyhydroxylated fullerene C70(OH)12. The measurement of fullerenol's isobaric heat capacity in the temperature range T = 9.2 K–304.5 K was performed, as well as the standard thermodynamic functions: Sm°, [Hm°(T) − Hm°(0)] and [Фm°(T) − Фm°(0)] were calculated. Additionally, the complex thermal analysis was conducted for investigation of thermal properties of C70(OH)12. The quantum chemistry approach was used in order to calculate the electronic structure, thermodynamic properties, and NMR spectra for C70(OH)12 isomers.

AB - The paper is devoted to thermodynamic investigation of polyhydroxylated fullerene C70(OH)12. The measurement of fullerenol's isobaric heat capacity in the temperature range T = 9.2 K–304.5 K was performed, as well as the standard thermodynamic functions: Sm°, [Hm°(T) − Hm°(0)] and [Фm°(T) − Фm°(0)] were calculated. Additionally, the complex thermal analysis was conducted for investigation of thermal properties of C70(OH)12. The quantum chemistry approach was used in order to calculate the electronic structure, thermodynamic properties, and NMR spectra for C70(OH)12 isomers.

KW - DFT

KW - Entropy

KW - Fullerenol

KW - Gibbs energy

KW - Isobaric heat capacity

UR - http://www.scopus.com/inward/record.url?scp=85079850443&partnerID=8YFLogxK

U2 - 10.1016/j.jct.2019.106029

DO - 10.1016/j.jct.2019.106029

M3 - Article

VL - 144

JO - Journal of Chemical Thermodynamics

JF - Journal of Chemical Thermodynamics

SN - 0021-9614

M1 - 106029

ER -

ID: 62768201