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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 21
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Research Articles

Modeling the structure and reactivity landscapes of a pyrazole-ammonium ionic derivative using wavefunction-dependent characteristics and screening for potential anti-inflammatory activity

Jamelah S. Al-Otaibia Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, Riyadh, Saudi ArabiaView further author information
,
Y. Sheena Maryb Thushara, Kollam, Kerala, IndiaCorrespondence[email protected]
View further author information
,
Shiji Fazilc Department of Chemistry, Mannaniya College of Arts and Science, Pangode, Kerala, IndiaView further author information
,
Y. Shyma Maryb Thushara, Kollam, Kerala, IndiaView further author information
&
S. Saralad Department of Physics, Kanchi Shri Krishna College of Arts and Science, Kanchipuram, Tamil Nadu, IndiaView further author information
Pages 11190-11202 | Received 06 Apr 2021, Accepted 11 Jul 2021, Published online: 30 Jul 2021

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Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary & Renjith Thomas. (2023) Electronic Structure, Solvation Effects and Wave Function Based Properties of a New Triazole Based Symmetric Chromene Derivative of Apigenin. Polycyclic Aromatic Compounds 43:3, pages 2810-2822.
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Articles from other publishers (1)

Jamelah S.Al-Otaibi, Y.Sheena Mary, Y.Shyma Mary, Asmita Mondal, Nivedita Acharjee & S. Balachandar. (2022) Investigation of the adsorption of a DNA based purine derivative on N/B-doped coronene and coronene by means of DFT and NCI interaction analysis. Journal of Molecular Liquids 367, pages 120373.
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