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- W2171946321 abstract "Abstract The vibrational spectra of diphenylacetylene and its deuterated forms were recorded, compared and their vibrations analysed. Using the AMI semiempirical method, the optimum geometric parameters of diphenylacetylene (tolane) and four halo-substituted were obtained, and the theoretical infrared spectra were calculated and compared. Several vibrational modes, especially in the low frequency range, were established. A few thermodynamic parameters, net atomic charges and atomic electron density were computed." @default.
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- W2171946321 date "1996-03-01" @default.
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- W2171946321 title "Vibrational Spectra and Structure of Diphenylacetilenes" @default.
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- W2171946321 doi "https://doi.org/10.1080/00387019608001600" @default.
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