Theoretical elucidation of the IR spectra of 4-bromo-3, 5-dimethylpyrazole crystals and their deuterium-bonded analogues: Multi-objective analysis from a quantum modeling perspective

Najeh Rekik

2025Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy12 citationsDOI

Topics & Concepts

ChemistryDeuteriumPerspective (graphical)Computational chemistryQuantumSpectral lineQuantum chemicalPhysical chemistryOrganic chemistryMoleculeAtomic physicsQuantum mechanicsComputer scienceArtificial intelligencePhysicsSynthesis and Reactions of Organic CompoundsChemical Reaction MechanismsSynthesis and biological activity