Theoretical and experimental investigation of a pyrazole derivative- solvation effects, reactivity analysis and MD simulations
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Theoretical and experimental investigation of a pyrazole derivative- solvation effects, reactivity analysis and MD simulations
- July 20, 2026
- Posted by: Stemskills Lab
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Chemical Physics Letters · 2022 · Cited 13 times
Jamelah S. Al-Otaibi, Y.Sheena Mary, Y.Shyma Mary, Sreejit Soman, Nivedita Acharjee, B.Narayana
This study combines experimental work and theoretical calculations on a pyrazole derivative, a compound built around a five-membered ring containing two nitrogen atoms. The analysis covers solvation effects, reactivity, and molecular dynamics simulations, which track how the molecule moves over time.
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