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 typeJournal Article
Publication date2025-02-06
scimago Q3
wos Q3
SJR0.322
CiteScore3.6
Impact factor1.8
ISSN00268976, 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.
GOST all authors (up to 50) Copy
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}
}