16 research outputs found
Selective and Catalyst-free Oxidation of D-Glucose to D-Glucuronic acid induced by High-Frequency Ultrasound
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First- and second-row transition metal oxa-aza macrocyclic complexes: a DFT study of an octahedral conformation
No full textTemps âby choiceâ? An Investigation of the Reasons Behind Temporary Employment Among Young Workers in Europe
No full textPressure-induced elastic, electronic and optical properties of Ba(Mg1/3Nb2/3)O3 using first principles calculations
No full textOn the radicalar properties of graphene fragments: double-hybrid DFT and perturbation theory approaches
No full textElectronic structure and structural diversity in indenyl in heterobinuclear transition-metal half-sandwich complexes
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A Multiscale Approach to Modelling Drug Metabolism by Membrane-Bound Cytochrome P450 Enzymes
No full textPerformance of recent density functionals to discriminate between olefin and nitrogen binding to palladium
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