Theoretical and experimental investigation of a pyrazole derivative- solvation effects, reactivity analysis and MD simulations
Jamelah S. Al‐Otaibi, Y. Sheena Mary, Y. Shyma Mary, Sreejit Soman, Nivedita Acharjee, B. Narayana
Topics & Concepts
SolvationChemistryReactivity (psychology)Molecular dynamicsPyrazoleComputational chemistryRoot mean squareDerivative (finance)Implicit solvationPhysical chemistryMoleculeMedicinal chemistryOrganic chemistryPhysicsMedicinePathologyAlternative medicineFinancial economicsEconomicsQuantum mechanicsFree Radicals and AntioxidantsPhotochemistry and Electron Transfer StudiesChemical Reaction Mechanisms