The structure and CC vibrational frequencies of the all-trans polyenes C2nH2n+2(nâ¯=â2â¯ââ¯15), C2nH2n(Me)2(nâ¯=â2â¯-â¯13), and C2nH2n(tert-Butyl)2(nâ¯=â2â¯-â¯5): Computational results
Keywords: فرکانس انحرافی; All-trans polyenes; Carbon-carbon bond lengths; Anharmonic frequencies; Density functional theory (dft); B3LYP/6-311++G(d,p);