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DFT Conformational, Wavefunction Based Reactivity Analysis, Docking and MD Simulations of a Carboxamide Derivative with Potential Anticancer Activity

Authors :
Jamelah S. Al-Otaibi
Y. Sheena Mary
Y. Shyma Mary
S. Aayisha
Source :
Polycyclic Aromatic Compounds. 43:1590-1601
Publication Year :
2022
Publisher :
Informa UK Limited, 2022.

Subjects

Subjects :
Polymers and Plastics
Organic Chemistry
Materials Chemistry

Details

ISSN :
15635333 and 10406638
Volume :
43
Database :
OpenAIRE
Journal :
Polycyclic Aromatic Compounds
Accession number :
edsair.doi...........69400cc0c5afecc4ec58c7de2da6511c
Full Text :
https://doi.org/10.1080/10406638.2022.2032765
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