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    A highly flexible molecule: The peculiar case of ethynyl isothiocyanate HCCNCS 

    SUN, WENHAO; Davis, Rebecca L; Thorwirth, Sven; Harding, Michael; van Wijngaarden, Jennifer (Journal of Chemical Physics, 2018-09-12)
    The rotational spectrum of the parent isotopic species of HCCNCS, along with those of three 13C singly substituted variants and one 34S minor isotopologue, has been observed with high resolution using Fourier transform ...
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    Dispersion-driven conformational preference in the gas phase: Microwave spectroscopic and theoretical study of allyl isocyanate 

    SUN, WENHAO; Sogeke, Paul O.; Silva, Weslley G. D. P.; van Wijngaarden, Jennifer (Journal of Chemical Physics, 2019-11-19)
    The conformations of allyl isocyanate (CH2=CHCH2N=C=O) were explored in the gas phase by combining theoretical calculations and Fourier transform microwave spectroscopy, including the chirped pulse and Balle-Flygare types. ...

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    Author
    sun, wenhao (2)
    van wijngaarden, jennifer (2)davis, rebecca l (1)harding, michael (1)silva, weslley g. d. p. (1)sogeke, paul o. (1)thorwirth, sven (1)Subjectmicrowave spectroscopy (2)potential energy surface (2)
    quantum chemistry calculations (2)
    electric discharge (1)quantum tunneling (1)structure determination (1)... View MoreDate Issued2018 (1)2019 (1)

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