Mendeleev Communications, volume 28, issue 6, pages 648-650

DFT modeling of active particles with one and two Mg atoms in post-titanocene catalytic systems for ethylene polymerization

Publication type: Journal Article
Publication date: 2018-11-01
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ISSN: 09599436, 1364551X
General Chemistry
Abstract
The DFT modeling of active particles in post-titanocene catalytic systems for ethylene polymerization suggests that catalytic centers with two magnesium atoms are more stable and more reactive with respect to ethylene as compared to the centers with one magnesium atom; this is in agreement with experimental data.
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Ustynyuk L. Y. DFT modeling of active particles with one and two Mg atoms in post-titanocene catalytic systems for ethylene polymerization // Mendeleev Communications. 2018. Vol. 28. No. 6. pp. 648-650.
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Ustynyuk L. Y. DFT modeling of active particles with one and two Mg atoms in post-titanocene catalytic systems for ethylene polymerization // Mendeleev Communications. 2018. Vol. 28. No. 6. pp. 648-650.
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TY - JOUR
DO - 10.1016/j.mencom.2018.11.029
UR - https://doi.org/10.1016%2Fj.mencom.2018.11.029
TI - DFT modeling of active particles with one and two Mg atoms in post-titanocene catalytic systems for ethylene polymerization
T2 - Mendeleev Communications
AU - Ustynyuk, Leila Yu.
PY - 2018
DA - 2018/11/01 00:00:00
PB - Elsevier
SP - 648-650
IS - 6
VL - 28
SN - 0959-9436
SN - 1364-551X
ER -
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@article{2018_Ustynyuk,
author = {Leila Yu. Ustynyuk},
title = {DFT modeling of active particles with one and two Mg atoms in post-titanocene catalytic systems for ethylene polymerization},
journal = {Mendeleev Communications},
year = {2018},
volume = {28},
publisher = {Elsevier},
month = {nov},
url = {https://doi.org/10.1016%2Fj.mencom.2018.11.029},
number = {6},
pages = {648--650},
doi = {10.1016/j.mencom.2018.11.029}
}
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Ustynyuk, Leila Yu.. “DFT modeling of active particles with one and two Mg atoms in post-titanocene catalytic systems for ethylene polymerization.” Mendeleev Communications, vol. 28, no. 6, Nov. 2018, pp. 648-650. https://doi.org/10.1016%2Fj.mencom.2018.11.029.
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