Articles with "interactions crystal" as a keyword



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dislocations and their interactions with other crystal defects in a Mg alloy

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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,… read more here.

Keywords: dislocations interactions; microscopy; defects alloy; crystal defects ... See more keywords
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Intermolecular Interactions in Crystal Structures of Imatinib-Containing Compounds

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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… read more here.

Keywords: containing compounds; crystal structures; structures imatinib; intermolecular interactions ... See more keywords
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Noncovalent Interactions and Crystal Structure Prediction of Energetic Materials

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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,… read more here.

Keywords: prediction energetic; interactions crystal; noncovalent interactions; energetic materials ... See more keywords