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Insight into the effect of water on the methanol-to-olefins conversion in H-SAPO-34 from molecular simulations and in situ microspectroscopy
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Unraveling the reaction mechanisms governing methanol-to-olefins catalysis by theory and experiment
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Identification of intermediates in zeolite-catalyzed reactions by in situ UV/Vis microspectroscopy and a complementary set of molecular simulations
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Validation of DFT-based methods for predicting qualitative thermochemistry of large polyaromatics
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Using elementary reactions to model growth processes of polyaromatic hydrocarbons under pyrolysis conditions of light feedstocks
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Bond Dissociation Enthalpies of Large Aromatic Carbon-Centered Radicals