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Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments. / Petrov, A. V.; Semenov, K. N.; Murin, I. V.

In: Russian Journal of General Chemistry, Vol. 88, No. 3, 01.03.2018, p. 610-612.

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

Harvard

Petrov, AV, Semenov, KN & Murin, IV 2018, 'Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments', Russian Journal of General Chemistry, vol. 88, no. 3, pp. 610-612. https://doi.org/10.1134/S1070363218030374

APA

Petrov, A. V., Semenov, K. N., & Murin, I. V. (2018). Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments. Russian Journal of General Chemistry, 88(3), 610-612. https://doi.org/10.1134/S1070363218030374

Vancouver

Petrov AV, Semenov KN, Murin IV. Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments. Russian Journal of General Chemistry. 2018 Mar 1;88(3):610-612. https://doi.org/10.1134/S1070363218030374

Author

Petrov, A. V. ; Semenov, K. N. ; Murin, I. V. / Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments. In: Russian Journal of General Chemistry. 2018 ; Vol. 88, No. 3. pp. 610-612.

BibTeX

@article{db4e223041ec46b69c15db2491e2e281,
title = "Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments",
abstract = "The electronic structure of fullerene C60 derivatives containing malonic acid fragments used as dopants in nanocomposite polymer electrolytic membranes was calculated by the density functional method. Charge states of atoms, thus determined, are necessary for molecular-dynamic simulation of proton mobility in these membranes.",
keywords = "density functional theory, fullerene, malonic acid",
author = "Petrov, {A. V.} and Semenov, {K. N.} and Murin, {I. V.}",
note = "Funding Information: This work was financially supported by the Russian Foundation for basic research (grant no. 17-08-01651) with the use of computing resources of the Computing Resource Center of St. Petersburg State University.",
year = "2018",
month = mar,
day = "1",
doi = "10.1134/S1070363218030374",
language = "English",
volume = "88",
pages = "610--612",
journal = "Russian Journal of General Chemistry",
issn = "1070-3632",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "3",

}

RIS

TY - JOUR

T1 - Electronic Structure of Fullerene Derivatives with Malonic Acid Fragments

AU - Petrov, A. V.

AU - Semenov, K. N.

AU - Murin, I. V.

N1 - Funding Information: This work was financially supported by the Russian Foundation for basic research (grant no. 17-08-01651) with the use of computing resources of the Computing Resource Center of St. Petersburg State University.

PY - 2018/3/1

Y1 - 2018/3/1

N2 - The electronic structure of fullerene C60 derivatives containing malonic acid fragments used as dopants in nanocomposite polymer electrolytic membranes was calculated by the density functional method. Charge states of atoms, thus determined, are necessary for molecular-dynamic simulation of proton mobility in these membranes.

AB - The electronic structure of fullerene C60 derivatives containing malonic acid fragments used as dopants in nanocomposite polymer electrolytic membranes was calculated by the density functional method. Charge states of atoms, thus determined, are necessary for molecular-dynamic simulation of proton mobility in these membranes.

KW - density functional theory

KW - fullerene

KW - malonic acid

UR - http://www.scopus.com/inward/record.url?scp=85045676130&partnerID=8YFLogxK

U2 - 10.1134/S1070363218030374

DO - 10.1134/S1070363218030374

M3 - Letter

AN - SCOPUS:85045676130

VL - 88

SP - 610

EP - 612

JO - Russian Journal of General Chemistry

JF - Russian Journal of General Chemistry

SN - 1070-3632

IS - 3

ER -

ID: 35261342