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The last 5 uploaded publications
Nonclassical Single-State Reactivity of an Oxo-Iron(IV) Complex Confined to Triplet Pathways
Claudia Küpper, Bhaskar Mondal, Joan Serrano‐Plana, Iris Klawitter, Frank Neese, Miguel Costas, Shengfa Ye, Franc Meyer (2017). Nonclassical Single-State Reactivity of an Oxo-Iron(IV) Complex Confined to Triplet Pathways. Journal of the American Chemical Society, 139(26), pp. 8939-8949, DOI: 10.1021/jacs.7b03255.
Article169 days agoBio-inspired mechanistic insights into CO2 reduction
Bhaskar Mondal, Jinshuai Song, Frank Neese, Shengfa Ye (2015). Bio-inspired mechanistic insights into CO2 reduction. Current Opinion in Chemical Biology, 25, pp. 103-109, DOI: 10.1016/j.cbpa.2014.12.022.
Article169 days agoControl in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO<sub>2</sub> Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study
Bhaskar Mondal, Frank Neese, Shengfa Ye (2015). Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO<sub>2</sub> Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study. Inorganic Chemistry, 54(15), pp. 7192-7198, DOI: 10.1021/acs.inorgchem.5b00469.
Article169 days agoElectronic Structure Contributions of Non-Heme Oxo-Iron(V) Complexes to the Reactivity
Bhaskar Mondal, Frank Neese, Eckhard Bill, Shengfa Ye (2018). Electronic Structure Contributions of Non-Heme Oxo-Iron(V) Complexes to the Reactivity. Journal of the American Chemical Society, 140(30), pp. 9531-9544, DOI: 10.1021/jacs.8b04275.
Article169 days agoToward Rational Design of 3d Transition Metal Catalysts for CO<sub>2</sub> Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining Steps
Bhaskar Mondal, Frank Neese, Shengfa Ye (2016). Toward Rational Design of 3d Transition Metal Catalysts for CO<sub>2</sub> Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining Steps. Inorganic Chemistry, 55(11), pp. 5438-5444, DOI: 10.1021/acs.inorgchem.6b00471.
Article169 days ago