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Browsing by Author Das, Amitabha

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Issue DateTitleAuthor(s)
2024-04-29DFT and ML methods for screening of homogeneous/heterogeneous catalysts for C1/C2 products from CO2Pathak, Biswarup; Das, Amitabha
2023Diruthenium Catalyst for Hydrogen Production from Aqueous Formic AcidKushwaha, Sanjeev; Awasthi, Mahendra Kumar; Das, Amitabha; Pathak, Biswarup; Singh, Sanjay Kumar
2023Insights of the efficient hydrogen evolution reaction performance in bimetallic Au4Cu2 nanoclustersMinhas, Harpriya; Das, Amitabha; Pathak, Biswarup
2024Machine Learning Assisted Screening of MXene with Superior Anchoring Effect in Al-S BatteriesManna, Souvik; Das, Amitabha; Das, Sandeep; Pathak, Biswarup
2024Machine learning-based screening of Mn-PNP catalysts for the CO2 reduction reaction using a region-wise ligand-encoded feature matrixDas, Amitabha; Roy, Diptendu Sinha; Mandal, Shyama Charan; Pathak, Biswarup
2022Mechanistic exploration of CO2 conversion to dimethoxymethane (DMM) using transition metal (Co, Ru) catalysts: an energy span modelDas, Amitabha; Mandal, Shyama Charan; Pathak, Biswarup
2023Organic additive for the selective C2-product formation on Cu(100): a density functional theory mechanistic studyDas, Amitabha; Mandal, Shyama Charan; Pathak, Biswarup
2023Sustainable Organic Photocatalysis for Site-Selective Hydrazocoupling of Electron-Rich ArenesDas, Amitabha; Pathak, Biswarup; Sarkar, Debayan
2021Unraveling the catalytically preferential pathway between the direct and indirect hydrogenation of CO2to CH3OH using N-heterocyclic carbene-based Mn(i)catalysts: a theoretical approachDas, Amitabha; Mandal, Shyama Charan; Pathak, Biswarup
2023Unravelling CO2 Reduction Reaction Intermediates on High Entropy Alloy Catalysts: An Interpretable Machine Learning Approach To Establish Scaling RelationsRoy, Diptendu Sinha; Charan Mandal, Shyama; Das, Amitabha; Pathak, Biswarup
Showing results 1 to 10 of 10