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1. 1. Physisorption of CO and N2O on ceria surfaces

   Författare :Carsten Müller; Kersti Hermansson; Konstantin Neyman; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; ceria; carbon monoxide; nitrous oxide; embedded cluster; physisorption; method of increments; CCSD T ; vibrational frequencies; Quantum chemistry; Kvantkemi; Quantum Chemistry; kvantkemi;

   Sammanfattning : Physisorption of CO and N2O on surfaces of ceria (CeO2) was investigated by means of high-level quantum-mechanical embedded cluster calculations. Both systems have high relevance in the field of environmental chemistry and heterogeneous catalysis. LÄS MER