Browsing NTNU Open by Author "Tveeikrem, Marit Elise Endresen"
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Quantum Chemical Calculations on the Physisorption of Molecular Hydrogen on N-doped Graphene
Tveeikrem, Marit Elise Endresen (Master thesis, 2013)We have investigated the hydrogen storage ability of nitrogen substituted graphene, through studieson the adsorption by performing quantum chemistry calculations on the model system using the aug-cc-pVDZ basis set at MP2 ...