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Towards the high-throughput prediction of finite-temperature properties using the quasi-harmonic approximation.
J Phys Condens Matter. 2024 Feb 16;36(20). doi: 10.1088/1361-648X/ad19a3.
J Phys Condens Matter. 2024.
PMID: 38157557
Breathing Behaviour Modification of Gallium MIL-53 Metal-Organic Frameworks Induced by the Bridging Framework Inorganic Anion.
Lutton-Gething ARBJ, Nangkam LT, Johansson JOW, Pallikara I, Skelton JM, Whitehead GFS, Vitorica-Yrezabal I, Attfield MP.
Lutton-Gething ARBJ, et al. Among authors: pallikara i.
Chemistry. 2023 Apr 13;29(21):e202203773. doi: 10.1002/chem.202203773. Epub 2023 Mar 13.
Chemistry. 2023.
PMID: 36651661
Free PMC article.
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Phase stability of the tin monochalcogenides SnS and SnSe: a quasi-harmonic lattice-dynamics study.
Pallikara I, Skelton JM.
Pallikara I, et al.
Phys Chem Chem Phys. 2021 Sep 15;23(35):19219-19236. doi: 10.1039/d1cp02597j.
Phys Chem Chem Phys. 2021.
PMID: 34524313
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