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Porous Si Partially Filled with Water Molecules-Crystal Structure, Energy Bands and Optical Properties from First Principles.
Nanomaterials (Basel). 2020 Feb 24;10(2):396. doi: 10.3390/nano10020396.
Nanomaterials (Basel). 2020.
PMID: 32102303
Free PMC article.
On the spectral properties of methyl and methoxy derivatives of 1,3-diphenyl-1H-pyrazolo[3,4-b]quinoxalines: Experiment and DFT/TDDFT calculations.
Gasiorski P, Matusiewicz M, Gondek E, Uchacz T, Wojtasik K, Danel A, Shchur Y, Kityk AV.
Gasiorski P, et al. Among authors: shchur y.
Spectrochim Acta A Mol Biomol Spectrosc. 2017 Nov 5;186:89-98. doi: 10.1016/j.saa.2017.05.060. Epub 2017 Jun 6.
Spectrochim Acta A Mol Biomol Spectrosc. 2017.
PMID: 28623840
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Phase transitions in TlH2PO4 and TlD2PO4 crystals: lattice dynamical treatment.
Shchur Y.
Shchur Y.
J Phys Condens Matter. 2010 Aug 11;22(31):315902. doi: 10.1088/0953-8984/22/31/315902. Epub 2010 Jul 16.
J Phys Condens Matter. 2010.
PMID: 21399370
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Soft-mode-driven lattice instabilities in Cs2HgCl4 crystal: phenomenological treatment and far-infrared spectroscopy of the structurally modulated phases.
Shchur Y, Kamba S, Parasyuk OV, Kityk AV.
Shchur Y, et al.
J Phys Condens Matter. 2012 Jun 20;24(24):245901. doi: 10.1088/0953-8984/24/24/245901. Epub 2012 May 17.
J Phys Condens Matter. 2012.
PMID: 22592392
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On the mean kinetic energy of the proton in strong hydrogen bonded systems.
Finkelstein Y, Moreh R, Shang SL, Shchur Y, Wang Y, Liu ZK.
Finkelstein Y, et al. Among authors: shchur y.
J Chem Phys. 2016 Feb 7;144(5):054302. doi: 10.1063/1.4940730.
J Chem Phys. 2016.
PMID: 26851916
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