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
scimago Q3
wos Q3
SJR: 0.305
CiteScore: 3.0
Impact factor: 1.7
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.
GOST all authors (up to 50) Copy
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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RIS Copy
TY - JOUR
DO - 10.1016/j.mencom.2018.11.029
UR - https://linkinghub.elsevier.com/retrieve/pii/S0959943618302748
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
PB - OOO Zhurnal "Mendeleevskie Soobshcheniya"
SP - 648-650
IS - 6
VL - 28
SN - 0959-9436
SN - 1364-551X
ER -
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BibTex (up to 50 authors) Copy
@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 = {OOO Zhurnal "Mendeleevskie Soobshcheniya"},
month = {nov},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0959943618302748},
number = {6},
pages = {648--650},
doi = {10.1016/j.mencom.2018.11.029}
}
MLA
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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://linkinghub.elsevier.com/retrieve/pii/S0959943618302748.
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