Pallikara I - Search Results

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Going beyond the Ordered Bulk: A Perspective on the Use of the Cambridge Structural Database for Predictive Materials Design.

Pallikara I, Skelton JM, Hatcher LE, Pallipurath AR. Pallikara I, et al. Cryst Growth Des. 2024 Aug 19;24(17):6911-6930. doi: 10.1021/acs.cgd.4c00694. eCollection 2024 Sep 4. Cryst Growth Des. 2024. PMID: 39247224 Free PMC article. Review.

Towards the high-throughput prediction of finite-temperature properties using the quasi-harmonic approximation.

Pallikara I, Skelton JM. Pallikara I, et al. 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.

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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