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    Conformational preferences of diallylamine: A rotational spectroscopic and theoretical study 

    Silva, Weslley G. D. P.; Daudet, Gabrielle; Perez, Sem; Thorwirth, Sven; van Wijngaarden, Jennifer (Journal of Chemical Physics, 2021-04-23)
    The conformational space of diallylamine (DAA) was investigated using rotational spectroscopy from 7–19 GHz aided by quantum chemical calculations. Extensive conformational searches using density functional theory B3LYP-D3(BJ) ...
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    Rotational spectrum and quantum chemical calculations of methyl cyanoacetate: A compound of potential astrochemical interest 

    Gregory, Carolyn; Silva, Weslley G. D. P.; van Wijngaarden, Jennifer (Journal of Molecular Spectroscopy, 2021-03-17)
    The rotational spectrum of methyl cyanoacetate (H3CO(CO)CH2CN) was investigated for the first time using Fourier transform microwave spectroscopy in the 6–19 GHz range. The observed spectral pattern is that of a single, ...

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    Authorsilva, weslley g. d. p. (2)
    van wijngaarden, jennifer (2)
    daudet, gabrielle (1)gregory, carolyn (1)perez, sem (1)thorwirth, sven (1)Subject
    conformers (2)
    microwave spectroscopy (2)potential energy surface (2)astrochemistry (1)conformational preferences (1)internal rotor (1)nuclear quadrupole hyperfine structure (1)... View MoreDate Issued
    2021 (2)

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