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The polythiophene molecular segment as a sensor model for H2O, HCN, NH3, SO3, and H2S: a density functional theory study.
J Mol Model. 2016 Jun;22(6):127. doi: 10.1007/s00894-016-3001-5. Epub 2016 May 13.
J Mol Model. 2016.
PMID: 27178416
Quantum mechanical investigations of mechanical and thermodynamic properties of SiC and ZrO2 ceramics.
Novir SB, Aram MR.
Novir SB, et al.
J Mol Model. 2021 Aug 30;27(9):269. doi: 10.1007/s00894-021-04878-y.
J Mol Model. 2021.
PMID: 34458955
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