PtOxCly(OH)z(H2O)n Complexes under Oxidative and Reductive Conditions: Impact of the Level of Theory on Thermodynamic Stabilities
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DOI: 10.1002/cphc.202200711
Abstract: Abstract Platinum‐based catalysts with Cl−, OH−, O2− and H2O ligands, are involved in many industrial processes. Their final chemical properties are impacted by calcination and reduction applied during the preparation and activation steps. We investigate… read more here.
Keywords: theory; h2o complexes; complexes oxidative; oxidative reductive ... See more keywords
Elastic electron scattering with formamide-(H2O) n complexes (n = 1, 2): Influence of microsolvation on the π * and σ * resonances
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DOI: 10.1088/1674-1056/abf7a8
Abstract: We report elastic cross sections for low-energy electron scattering with formamide-(H2O) n complexes (n = 1, 2) in the energy region of 0.01–8 eV. The scattering calculations are performed using the R-matrix method in the… read more here.
Keywords: h2o complexes; electron scattering; microsolvation; formamide h2o ... See more keywords