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Issue Date	Title	Author(s)
2017	Aliphatic Mn-PNP complexes for the CO2 hydrogenation reaction: A base free mechanism	Rawat, Kuber Singh; Pathak, Biswarup
2016	Catalytic hydrogenation of CO2 by Fe complexes containing pendant amines: Role of water and base	Rawat, Kuber Singh; Pathak, Biswarup
2016	Catalytic hydrogenation of CO2 by manganese complexes: Role of π-acceptor ligands	Rawat, Kuber Singh; Pathak, Biswarup
2019	Catalytic upgrading of ethanol to: N -butanol using an aliphatic Mn-PNP complex: Theoretical insights into reaction mechanisms and product selectivity	Rawat, Kuber Singh; Mandal, Shyama Charan; Bhauriyal, Preeti; Garg, Priyanka; Pathak, Biswarup
2015	Chemical Detoxification of Organomercurials	Rawat, Kuber Singh; Pathak, Biswarup
2019	Computational Screening of Electrocatalytic Activity of Transition Metal-Doped CdS Nanotubes for Water Splitting	Garg, Priyanka; Nair, Akhil Sreekumaran; Rawat, Kuber Singh; Pathak, Biswarup
2019	Computational Screening of Electrocatalytic Activity of Transition Metal-Doped CdS Nanotubes for Water Splitting	Garg, Priyanka; Nair, Akhil S.; Rawat, Kuber Singh; Pathak, Biswarup
2019-02-27	Computational studies of manganese based homogeneous catalysts for CO2 hydrogenation reactions	Pathak, Biswarup; Rawat, Kuber Singh
2019	A computational study of electrocatalytic CO2 reduction by Mn(I) complexes: Role of bipyridine substituents	Rawat, Kuber Singh; Mandal, Shyama Charan; Pathak, Biswarup
2019	A computational study on ligand assisted: Vs. ligand participation mechanisms for CO2 hydrogenation: Importance of bifunctional ligand based catalysts	Mandal, Shyama Charan; Rawat, Kuber Singh; Pathak, Biswarup
2018	Correction: Crystal-defect-induced facet-dependent electrocatalytic activity of 3D gold nanoflowers for the selective nanomolar detection of ascorbic acid (Nanoscale (2018) 10 (11091-11102) DOI: 10.1039/C8NR03087A)	Pathak, Biswarup; Rawat, Kuber Singh
2018	Crystal-defect-induced facet-dependent electrocatalytic activity of 3D gold nanoflowers for the selective nanomolar detection of ascorbic acid	Pathak, Biswarup; Rawat, Kuber Singh
2016	Cuboctahedral: Vs. octahedral platinum nanoclusters: Insights into the shape-dependent catalytic activity for fuel cell applications	Rawat, Kuber Singh; Pathak, Biswarup
2018	First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air Battery	Bhauriyal, Preeti; Rawat, Kuber Singh; Bhattacharyya, Gargee; Garg, Priyanka; Pathak, Biswarup
2018	Flexible proton-responsive ligand-based Mn(i) complexes for CO2 hydrogenation: A DFT study	Rawat, Kuber Singh; Pathak, Biswarup
2017	A free-standing platinum monolayer as an efficient and selective catalyst for the oxygen reduction reaction	Garg, Priyanka; Rawat, Kuber Singh; Bhauriyal, Preeti; Pathak, Biswarup
2019	Graphene/hbn heterostructures as high-capacity cathodes with high voltage for next-generation aluminum batteries	Bhauriyal, Preeti; Bhattacharyya, Gargee; Rawat, Kuber Singh; Pathak, Biswarup
2019	Hexagonal Cu(111) Monolayers for Selective CO2 Hydrogenation to CH3OH: Insights from Density Functional Theory	Mandal, Shyama Charan; Rawat, Kuber Singh; Garg, Priyanka; Pathak, Biswarup
2019	Hexagonal CuCl Monolayer for Water Splitting: A DFT Study	Garg, Priyanka; Rawat, Kuber Singh; Bhattacharyya, Gargee; Kumar, Sourabh; Pathak, Biswarup
2019	Metal-ligand bifunctional based Mn-catalysts for CO2 hydrogenation reaction	Rawat, Kuber Singh; Garg, Priyanka; Bhauriyal, Preeti; Pathak, Biswarup

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