PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 22535216-1 2012 The interaction of a water molecule with the (100) surface of MgO as described by cluster models is studied using MP2, coupled MP2 (MP2C) and symmetry-adapted perturbation theory (SAPT) methods. Magnesium Oxide 62-65 tryptase pseudogene 1 Homo sapiens 114-130 30596490-5 2019 The final hybrid MP2:DFT-D+DeltaCC estimate for CO on the MgO(001) surface at low coverage, -21.2 +- 0.5 kJ/mol, is in close agreement with the reference energy derived from temperature-programmed desorption experiments, -20.6 +- 2.4 kJ/mol. Magnesium Oxide 58-61 tryptase pseudogene 1 Homo sapiens 17-20 21952116-0 2011 Ab initio calculation of the MgO(100) interaction with He and Ne: a HF + MP2 and HF + MP2(B3LYP) comparison. Magnesium Oxide 29-32 tryptase pseudogene 1 Homo sapiens 73-76 21952116-0 2011 Ab initio calculation of the MgO(100) interaction with He and Ne: a HF + MP2 and HF + MP2(B3LYP) comparison. Magnesium Oxide 29-32 tryptase pseudogene 1 Homo sapiens 86-89 29334088-1 2018 A hybrid QM:QM method that combines MP2 as high-level method on cluster models with density functional theory (PBE+D2) as low-level method on periodic models is applied to adsorption of methane and ethane on the MgO(001) surface for which reliable experimental desorption enthalpies are available. Magnesium Oxide 212-215 tryptase pseudogene 1 Homo sapiens 36-39 23949344-4 2013 Taking into account the difference in the periodic limit at the DFT + D level, 20.9 +- 0.7 kJ mol(-1) is obtained as the estimate for the full periodic MP2 limit for the energy of CO desorption from the MgO(001) surface. Magnesium Oxide 203-206 tryptase pseudogene 1 Homo sapiens 152-155