ereprof. dr. Michel Waroquier
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Physisorption of C2-C8 alkenes in H-FAU and H-ZSM-5
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Theoretical study on elementary reaction steps in the methanol-to-olefin process
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Formation of structural defects in Poly(Vinyl Chloride): a microscopic investigation
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Regio- and stereospecific ring opening of 1,1-dialkyl-2-(aryloxymethyl)aziridinium salts by bromide
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X- (X = O, S) ions in alkali halide lattices through density functional calculations. 1. Substitutional defect models
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Hydrocarbon bond dissociation enthalpies: From substituted aromatics to polyaromatics
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Density functional investigation of high-spin XY (X = Cr, Mo, W and Y = C, N, O) molecules
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Unexpected four-membered over six-membered ring formation during the synthesis of azaheterocyclic phosphonates: Experimental and theoretical evaluation
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Theoretical study on the alteration of fundamental zeolite properties by methylene functionalization
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Ab initio calculation of entropy and heat capacity of gas-phase n-alkanes with hetero-elements O and S: Ethers/alcohols and sulfides/thiols