Yayın: Spectroscopic (FT-IR, Laser-Raman and NMR) and conformational analysis on novel pyrazole β-keto ester compound
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Conformational isomerism, Chemistry, Raman spectroscopy, Molecular geometry, HOMO/LUMO, Basis set, Chemical shift, Molecule, Computational chemistry, Natural bond orbital, Molecular orbital, Density functional theory, Polarizable continuum model, Proton NMR, Crystallography, Physical chemistry, Stereochemistry, Solvation, Organic chemistry