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Browsing Bernal Institute by Subject "density functional theory"

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Browsing Bernal Institute by Subject "density functional theory"

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  • Zeglinski, Jacek; Kuhs, Manuel; Devi, Renuka K.; Khamar, Dikshitkumar; Hegarty, Avril C.; Thompson, Damien; Rasmuson, Åke C. (American Chemical Society, 2019)
    Induction time experiments, spectroscopic and calorimetric analysis, and molecular modelling were used to probe the influence of solvent on the crystal nucleation of fenoxycarb (FC), a medium-sized, flexible organic ...

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