Kuber Singh Rawat

IIT Indore 
Computational chemistry
"Kuber Rawat"
Mean distance: (not calculated yet)
BETA: Related publications


You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

Mandal SC, Rawat KS, Pathak B. (2019) A computational study on ligand assisted vs. ligand participation mechanisms for CO hydrogenation: importance of bifunctional ligand based catalysts. Physical Chemistry Chemical Physics : Pccp
Rawat KS, Mandal SC, Bhauriyal P, et al. (2019) Catalytic upgrading of ethanol to n-butanol using an aliphatic Mn–PNP complex: theoretical insights into reaction mechanisms and product selectivity Catalysis Science & Technology. 9: 2794-2805
Mandal SC, Rawat KS, Nandi S, et al. (2019) Theoretical insights into CO2 hydrogenation to methanol by a Mn–PNP complex Catalysis Science & Technology. 9: 1867-1878
Mandal SC, Rawat KS, Garg P, et al. (2019) Hexagonal Cu(111) Monolayers for Selective CO2 Hydrogenation to CH3OH: Insights from Density Functional Theory Acs Applied Nano Materials. 2: 7686-7695
Garg P, Nair AS, Rawat KS, et al. (2019) Computational Screening of Electrocatalytic Activity of Transition Metal-Doped CdS Nanotubes for Water Splitting Journal of Physical Chemistry C. 123: 13419-13427
Bhauriyal P, Bhattacharyya G, Rawat KS, et al. (2019) Graphene/hBN Heterostructures as High-Capacity Cathodes with High Voltage for Next-Generation Aluminum Batteries The Journal of Physical Chemistry C. 123: 3959-3967
Rawat KS, Mandal SC, Pathak B. (2019) A computational study of electrocatalytic CO2 reduction by Mn(I) complexes: Role of bipyridine substituents Electrochimica Acta. 297: 606-612
Garg P, Bhauriyal P, Mahata A, et al. (2018) Role of Dimensionality for Photocatalytic Water Splitting: CdS Nanotube versus Bulk Structure. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Bhauriyal P, Rawat KS, Bhattacharyya G, et al. (2018) First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air Battery. Chemistry, An Asian Journal
De SK, Mondal S, Sen P, et al. (2018) Correction: Crystal-defect-induced facet-dependent electrocatalytic activity of 3D gold nanoflowers for the selective nanomolar detection of ascorbic acid. Nanoscale
See more...