HF and DFT studies and vibrational spectra of 1,2-bis(2 ... HF and DFT studies and vibrational spectra of 1,2-bis(2-pyridyl)ethylene and its zinc (II) halide complexes Ab initio restricted Hartree–Fock and density function theory calculations using BLYP, B3LYP and B3PW91 functionals were carried out to study molecular structure and vibrational spectrum of 1,2-bis(2 …
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