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Published in 2017 at "Acta Materialia"
DOI: 10.1016/j.actamat.2016.11.015
Abstract: Abstract c + a > dislocations and their interactions with other crystal defects in a Mg alloy have been investigated using atomic-resolution aberration-corrected scanning transmission electron microscopy. Two types of c + a > dislocations,…
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Keywords:
dislocations interactions;
microscopy;
defects alloy;
crystal defects ... See more keywords
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Published in 2020 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms21238970
Abstract: Imatinib, one of the most used therapeutic agents to treat leukemia, is an inhibitor that specifically blocks the activity of tyrosine kinases. The molecule of imatinib is flexible and contains several functional groups able to…
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Keywords:
containing compounds;
crystal structures;
structures imatinib;
intermolecular interactions ... See more keywords
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Published in 2022 at "Molecules"
DOI: 10.3390/molecules27123755
Abstract: The crystal and molecular structures, intermolecular interactions, and energy of CL-20, HATO, and FOX-7 were comparatively predicted based on molecular dynamic (MD) simulations. By comparison, the 2D fingerprint plot, Hirshfeld surface, reduced density gradient isosurface,…
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Keywords:
prediction energetic;
interactions crystal;
noncovalent interactions;
energetic materials ... See more keywords