FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid
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Amino groups in nucleic acid bases, aniline, aminopyridines, and aminotriazine are nonplanar: Results of correlated <i>ab</i> <i>initio</i> quantum chemical calculations and anharmonic analysis of the aniline inversion motion
NH2 inversion potential in the S0 and S1 electronic states of aniline: fit to the (ro-)vibrational data and comparison with ab initio and density functional results
An experimental and theoretical study of molecular structure and vibrational spectra of 2-chloronicotinic acid by density functional theory and ab initio Hartree–Fock calculations
A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons
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no DOI — not checked10.1016/j.molstruc.2010.07.033_b0145
no DOI — not checked10.1016/j.molstruc.2010.07.033_b0150
no DOI — not checked10.1016/j.molstruc.2010.07.033_b0155
no DOI — not checked10.1016/j.molstruc.2010.07.033_b0165
no DOI — not checked10.1016/j.molstruc.2010.07.033_b0170
no DOI — not checked10.1016/j.molstruc.2010.07.033_b0190
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