Ab initio prediction of the structural, electronic and optical behavior of novel combinations of ternary perovskite oxides ATiO3 (A = Rb, Cs, Fr) using the Hubbard ‘U’ correction for optoelectronic devices
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DOI: 10.1007/s10825-020-01571-w
Abstract: The structural and optoelectronic properties of ATiO3 (A = Rb, Cs, and Fr) perovskite oxides in the cubic phase are investigated using an ab initio method based on density functional theory. The exchange correlation function is determined by… read more here.
Keywords: optoelectronic devices; prediction structural; structural electronic; electronic optical ... See more keywords
Prediction of structural consequences for disease causing variants in C21orf2 protein using computational approaches
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2018.1429313
Abstract: Amyotrophic lateral sclerosis (ALS), a progressive motor-neurone disease, affects individuals usually aged between 50 and 70 years. C21orf2, recently identified as the new ALS susceptibility gene, harbours rare missense mutations that cause this fatal disease.… read more here.
Keywords: prediction structural; consequences disease; disease causing; disease ... See more keywords