Skelton JM - Search Results

1

Phase stability of the tin monochalcogenides SnS and SnSe: a quasi-harmonic lattice-dynamics study.

Pallikara I, Skelton JM. Pallikara I, et al. Among authors: skelton jm. Phys Chem Chem Phys. 2021 Sep 15;23(35):19219-19236. doi: 10.1039/d1cp02597j. Phys Chem Chem Phys. 2021. PMID: 34524313

2

Lattice dynamics of the tin sulphides SnS₂, SnS and Sn₂S₃: vibrational spectra and thermal transport.

Skelton JM, Burton LA, Jackson AJ, Oba F, Parker SC, Walsh A. Skelton JM, et al. Phys Chem Chem Phys. 2017 May 17;19(19):12452-12465. doi: 10.1039/c7cp01680h. Phys Chem Chem Phys. 2017. PMID: 28470289 Free PMC article.

3

Monitoring photo-induced population dynamics in metastable linkage isomer crystals: a crystallographic kinetic study of [Pd(Bu₄dien)NO₂]BPh₄.

Hatcher LE , Skelton JM , Warren MR , Stubbs C , da Silva EL , Raithby PR . Hatcher LE , et al. Among authors: skelton jm. Phys Chem Chem Phys. 2018 Feb 21;20(8):5874-5886. doi: 10.1039/c7cp05422j. Phys Chem Chem Phys. 2018. PMID: 29417100

4

Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites.

Yang RX, Skelton JM, da Silva EL, Frost JM, Walsh A. Yang RX, et al. Among authors: skelton jm. J Chem Phys. 2020 Jan 14;152(2):024703. doi: 10.1063/1.5131575. J Chem Phys. 2020. PMID: 31941301

5

Towards an atomistic understanding of polymorphism in molecular solids.

la Vega AS, Duarte LJ, Silva AF, Skelton JM, Rocha-Rinza T, Popelier PLA. la Vega AS, et al. Among authors: skelton jm. Phys Chem Chem Phys. 2022 May 11;24(18):11278-11294. doi: 10.1039/d2cp00457g. Phys Chem Chem Phys. 2022. PMID: 35481948

6

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: skelton jm. Chemistry. 2023 Apr 13;29(21):e202203773. doi: 10.1002/chem.202203773. Epub 2023 Mar 13. Chemistry. 2023. PMID: 36651661 Free PMC article.

7

Location of Artinite (Mg₂CO₃(OH)₂·3H₂O) within the MgO-CO₂-H₂O system using ab initio thermodynamics.

Tse JS, Grant J, Skelton JM, Gillie LJ, Zhu R, Pesce GL, Ball RJ, Parker SC, Molinari M. Tse JS, et al. Among authors: skelton jm. Phys Chem Chem Phys. 2023 Jul 12;25(27):18011-18022. doi: 10.1039/d3cp00518f. Phys Chem Chem Phys. 2023. PMID: 37377444

8

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

Pallikara I, Skelton JM. Pallikara I, et al. Among authors: skelton jm. J Phys Condens Matter. 2024 Feb 16;36(20). doi: 10.1088/1361-648X/ad19a3. J Phys Condens Matter. 2024. PMID: 38157557

9

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. Among authors: skelton jm. 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.

10

Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors.

Skelton JM, Tiana D, Parker SC, Togo A, Tanaka I, Walsh A. Skelton JM, et al. J Chem Phys. 2015 Aug 14;143(6):064710. doi: 10.1063/1.4928058. J Chem Phys. 2015. PMID: 26277159 Free article.

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