Multiscale investigation of CO(2) capture in 1,2,4-triazolium-based ionic liquids and porous copolymers using density functional theory and molecular dynamics.

Anila S, Yuan J, Lyubartsev AP

Open source

DOI
10.1039/d6cp02655a
Published
2026 Sep 11
Container
Physical chemistry chemical physics : PCCP
Publisher
Not recorded
Open access
yes

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BibTeX

@article{allodium:10.1039/d6cp02655a,
  title = {Multiscale investigation of CO(2) capture in 1,2,4-triazolium-based ionic liquids and porous copolymers using density functional theory and molecular dynamics.},
  author = {Anila S and Yuan J and Lyubartsev AP},
  year = {2026},
  journal = {Physical chemistry chemical physics : PCCP},
  doi = {10.1039/d6cp02655a},
  url = {https://doi.org/10.1039/d6cp02655a}
}

RIS

TY  - JOUR
TI  - Multiscale investigation of CO(2) capture in 1,2,4-triazolium-based ionic liquids and porous copolymers using density functional theory and molecular dynamics.
AU  - Anila S
AU  - Yuan J
AU  - Lyubartsev AP
PY  - 2026
JO  - Physical chemistry chemical physics : PCCP
DO  - 10.1039/d6cp02655a
UR  - https://doi.org/10.1039/d6cp02655a
ER  - 

APA

S, A., J, Y., & AP, L. (2026). Multiscale investigation of CO(2) capture in 1,2,4-triazolium-based ionic liquids and porous copolymers using density functional theory and molecular dynamics.. Physical chemistry chemical physics : PCCP. https://doi.org/10.1039/d6cp02655a

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