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SI: Advances in Density Functional Theory (DFT) Studies of Solids.

Oreshonkov AS. Oreshonkov AS. Materials (Basel). 2022 Mar 12;15(6):2099. doi: 10.3390/ma15062099. Materials (Basel). 2022. PMID: 35329551 Free PMC article.

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Structural Features of Y₂O₂SO₄ via DFT Calculations of Electronic and Vibrational Properties.

Oreshonkov AS, Denisenko YG. Oreshonkov AS, et al. Materials (Basel). 2021 Jun 11;14(12):3246. doi: 10.3390/ma14123246. Materials (Basel). 2021. PMID: 34208415 Free PMC article.

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Quaternary Selenides EuLnCuSe₃: Synthesis, Structures, Properties and In Silico Studies.

Grigoriev MV, Solovyov LA, Ruseikina AV, Aleksandrovsky AS, Chernyshev VA, Velikanov DA, Garmonov AA, Molokeev MS, Oreshonkov AS, Shestakov NP, Matigorov AV, Volkova SS, Ostapchuk EA, Kertman AV, Schleid T, Safin DA. Grigoriev MV, et al. Among authors: oreshonkov as. Int J Mol Sci. 2022 Jan 28;23(3):1503. doi: 10.3390/ijms23031503. Int J Mol Sci. 2022. PMID: 35163428 Free PMC article.

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Structural, Electronic and Vibrational Properties of YAl₃(BO₃)₄.

Oreshonkov AS, Roginskii EM, Shestakov NP, Gudim IA, Temerov VL, Nemtsev IV, Molokeev MS, Adichtchev SV, Pugachev AM, Denisenko YG. Oreshonkov AS, et al. Materials (Basel). 2020 Jan 23;13(3):545. doi: 10.3390/ma13030545. Materials (Basel). 2020. PMID: 31979242 Free PMC article.

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Raman Spectroscopy of Janus MoSSe Monolayer Polymorph Modifications Using Density Functional Theory.

Oreshonkov AS, Sukhanova EV, Popov ZI. Oreshonkov AS, et al. Materials (Basel). 2022 Jun 3;15(11):3988. doi: 10.3390/ma15113988. Materials (Basel). 2022. PMID: 35683283 Free PMC article.

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Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO₄)₃:Er³⁺/Yb³⁺: structural and spectroscopic properties.

Lim CS, Aleksandrovsky AS, Molokeev MS, Oreshonkov AS, Ikonnikov DA, Atuchin VV. Lim CS, et al. Among authors: oreshonkov as. Dalton Trans. 2016 Oct 4;45(39):15541-15551. doi: 10.1039/c6dt02378a. Dalton Trans. 2016. PMID: 27711792

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Structure, Thermal Stability, and Spectroscopic Properties of Triclinic Double Sulfate AgEu(SO₄)₂ with Isolated SO₄ Groups.

Denisenko YG, Atuchin VV, Molokeev MS, Aleksandrovsky AS, Krylov AS, Oreshonkov AS, Volkova SS, Andreev OV. Denisenko YG, et al. Among authors: oreshonkov as. Inorg Chem. 2018 Nov 5;57(21):13279-13288. doi: 10.1021/acs.inorgchem.8b01837. Epub 2018 Oct 15. Inorg Chem. 2018. PMID: 30351092

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Exploration of the Structural and Vibrational Properties of the Ternary Molybdate Tl₅BiHf(MoO₄)₆ with Isolated MoO₄ Units and Tl⁺ Conductivity.

Grossman V, Adichtchev SV, Atuchin VV, Bazarov BG, Bazarova JG, Kuratieva N, Oreshonkov AS, Pervukhina NV, Surovtsev NV. Grossman V, et al. Among authors: oreshonkov as. Inorg Chem. 2020 Sep 8;59(17):12681-12689. doi: 10.1021/acs.inorgchem.0c01762. Epub 2020 Aug 12. Inorg Chem. 2020. PMID: 32805991

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Crystal and local structure refinement in Ca2Al3O6F explored by X-ray diffraction and Raman spectroscopy.

Xia Z, Molokeev MS, Oreshonkov AS, Atuchin VV, Liu RS, Dong C. Xia Z, et al. Among authors: oreshonkov as. Phys Chem Chem Phys. 2014 Apr 7;16(13):5952-7. doi: 10.1039/c3cp53816h. Phys Chem Chem Phys. 2014. PMID: 24336518

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Exploration of the Crystal Structure and Thermal and Spectroscopic Properties of Monoclinic Praseodymium Sulfate Pr₂(SO₄)₃.

Denisenko YG, Atuchin VV, Molokeev MS, Sedykh AE, Khritokhin NA, Aleksandrovsky AS, Oreshonkov AS, Shestakov NP, Adichtchev SV, Pugachev AM, Sal'nikova EI, Andreev OV, Razumkova IA, Müller-Buschbaum K. Denisenko YG, et al. Among authors: oreshonkov as. Molecules. 2022 Jun 21;27(13):3966. doi: 10.3390/molecules27133966. Molecules. 2022. PMID: 35807213 Free PMC article.

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