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Physical Chemistry Chemical Physics : PCCP|April 26, 2018
Flexible proton-responsive ligand-based Mn(i) complexes for CO<sub>2</sub> hydrogenation: a DFT studyKuber Singh Rawat, Biswarup Pathak
Physical Chemistry Chemical Physics : PCCP|February 1, 2019
A computational study on ligand assisted vs. ligand participation mechanisms for CO<sub>2</sub> hydrogenation: importance of bifunctional ligand based catalystsShyama Charan Mandal, Kuber Singh Rawat, Biswarup Pathak
Scientific Reports|May 10, 2016
Octahedral Ni-nanocluster (Ni85) for Efficient and Selective Reduction of Nitric Oxide (NO) to Nitrogen (N2)Arup Mahata, Kuber Singh Rawat, Indrani Choudhuri, et al.
Advanced Materials (Deerfield Beach, Fla.)|December 26, 2024
Computational Modeling of Reticular Materials: The Past, the Present, and the FutureWim Temmerman, Ruben Goeminne, Kuber Singh Rawat, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 29, 2018
Role of Dimensionality for Photocatalytic Water Splitting: CdS Nanotube versus Bulk StructurePriyanka Garg, Preeti Bhauriyal, Arup Mahata, et al.
Chemistry, an Asian Journal|August 5, 2018
First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air BatteryPreeti Bhauriyal, Kuber Singh Rawat, Gargee Bhattacharyya, et al.
Nanoscale|June 21, 2016
Transition-metal embedded carbon nitride monolayers: high-temperature ferromagnetism and half-metallicityIndrani Choudhuri, Sourabh Kumar, Arup Mahata, et al.
Angewandte Chemie (International Ed. in English)|July 25, 2015
Chemical Detoxification of OrganomercurialsMainak Banerjee, Ramesh Karri, Kuber Singh Rawat, et al.
Small (Weinheim an Der Bergstrasse, Germany)|July 20, 2023
Exploring the Charge Storage Dynamics in Donor-Acceptor Covalent Organic Frameworks Based Supercapacitors by Employing Ionic Liquid ElectrolyteAmrita Chatterjee, Jiamin Sun, Kuber Singh Rawat, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 26, 2017
Protection of Endogenous Thiols against Methylmercury with Benzimidazole-Based Thione by Unusual Ligand-Exchange ReactionsMainak Banerjee, Ramesh Karri, Ashish Chalana, et al.
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