article · Journal of Molecular Structure

Weak noncovalent interactions of 2,4-disubstituted pyrimidine-5-carbonitriles: Insights from quantum chemical calculations, molecular docking, and molecular dynamics simulations

Lamya H. Al-Wahaibi
Olivier Blacque
M. Judith Percino
Ali A. El‐Emam
Thirumani Logalakshmi
Hanan M. Hassan
Subbiah Thamotharan

20251 citationDelta University for Science and Technology

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Research topics

Synthesis and Reactions of Organic Compounds
Structural and Chemical Analysis of Organic and Inorganic Compounds
Synthesis and Reactivity of Heterocycles

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DOI: 10.1016/j.molstruc.2025.143504

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