Understanding the interactions between PMMA polymer and common industrial gasses: a computational xTB, DFT, SAPT and MD study
Dušica Krunić
1
,
Stevan Armakovic
1, 2
,
Andrijana Bilić
3
,
Sanja Armakovic
2, 3
,
Lazar Gavanski
1
1
Faculty of Sciences, Department of Physics
2
Association for the International Development of Academic and Scientific Collaboration
3
Department of Chemistry, Biochemistry and Environmental Protection
Publication type: Journal Article
Publication date: 2025-02-06
scimago Q3
wos Q3
SJR: 0.322
CiteScore: 3.6
Impact factor: 1.8
ISSN: 00268976, 13623028
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Krunić D. et al. Understanding the interactions between PMMA polymer and common industrial gasses: a computational xTB, DFT, SAPT and MD study // Molecular Physics. 2025.
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Krunić D., Armakovic S., Bilić A., Armakovic S., Gavanski L. Understanding the interactions between PMMA polymer and common industrial gasses: a computational xTB, DFT, SAPT and MD study // Molecular Physics. 2025.
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TY - JOUR
DO - 10.1080/00268976.2025.2456108
UR - https://www.tandfonline.com/doi/full/10.1080/00268976.2025.2456108
TI - Understanding the interactions between PMMA polymer and common industrial gasses: a computational xTB, DFT, SAPT and MD study
T2 - Molecular Physics
AU - Krunić, Dušica
AU - Armakovic, Stevan
AU - Bilić, Andrijana
AU - Armakovic, Sanja
AU - Gavanski, Lazar
PY - 2025
DA - 2025/02/06
PB - Taylor & Francis
SN - 0026-8976
SN - 1362-3028
ER -
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@article{2025_Krunić,
author = {Dušica Krunić and Stevan Armakovic and Andrijana Bilić and Sanja Armakovic and Lazar Gavanski},
title = {Understanding the interactions between PMMA polymer and common industrial gasses: a computational xTB, DFT, SAPT and MD study},
journal = {Molecular Physics},
year = {2025},
publisher = {Taylor & Francis},
month = {feb},
url = {https://www.tandfonline.com/doi/full/10.1080/00268976.2025.2456108},
doi = {10.1080/00268976.2025.2456108}
}