Year |
Citation |
Score |
2019 |
Mandal SC, Rawat KS, Pathak B. A computational study on ligand assisted vs. ligand participation mechanisms for CO hydrogenation: importance of bifunctional ligand based catalysts. Physical Chemistry Chemical Physics : Pccp. PMID 30702721 DOI: 10.1039/C8Cp06714G |
0.648 |
|
2019 |
Rawat KS, Mandal SC, Bhauriyal P, Garg P, Pathak B. 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. DOI: 10.1039/C9Cy00501C |
0.602 |
|
2019 |
Mandal SC, Rawat KS, Nandi S, Pathak B. Theoretical insights into CO2 hydrogenation to methanol by a Mn–PNP complex Catalysis Science & Technology. 9: 1867-1878. DOI: 10.1039/C9Cy00114J |
0.646 |
|
2019 |
Mandal SC, Rawat KS, Garg P, Pathak B. Hexagonal Cu(111) Monolayers for Selective CO2 Hydrogenation to CH3OH: Insights from Density Functional Theory Acs Applied Nano Materials. 2: 7686-7695. DOI: 10.1021/acsanm.9b01751 |
0.508 |
|
2019 |
Garg P, Nair AS, Rawat KS, Pathak B. Computational Screening of Electrocatalytic Activity of Transition Metal-Doped CdS Nanotubes for Water Splitting Journal of Physical Chemistry C. 123: 13419-13427. DOI: 10.1021/Acs.Jpcc.9B01589 |
0.589 |
|
2019 |
Bhauriyal P, Bhattacharyya G, Rawat KS, Pathak B. Graphene/hBN Heterostructures as High-Capacity Cathodes with High Voltage for Next-Generation Aluminum Batteries The Journal of Physical Chemistry C. 123: 3959-3967. DOI: 10.1021/Acs.Jpcc.8B10550 |
0.515 |
|
2019 |
Rawat KS, Mandal SC, Pathak B. A computational study of electrocatalytic CO2 reduction by Mn(I) complexes: Role of bipyridine substituents Electrochimica Acta. 297: 606-612. DOI: 10.1016/J.Electacta.2018.11.210 |
0.586 |
|
2018 |
Garg P, Bhauriyal P, Mahata A, Rawat KS, Pathak B. Role of Dimensionality for Photocatalytic Water Splitting: CdS Nanotube versus Bulk Structure. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30485628 DOI: 10.1002/Cphc.201801051 |
0.527 |
|
2018 |
Bhauriyal P, Rawat KS, Bhattacharyya G, Garg P, Pathak B. First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air Battery. Chemistry, An Asian Journal. PMID 30076760 DOI: 10.1002/Asia.201801057 |
0.56 |
|
2018 |
De SK, Mondal S, Sen P, Pal U, Pathak B, Rawat KS, Bardhan M, Bhattacharya M, Satpati B, De A, Senapati D. Correction: Crystal-defect-induced facet-dependent electrocatalytic activity of 3D gold nanoflowers for the selective nanomolar detection of ascorbic acid. Nanoscale. PMID 29978174 DOI: 10.1039/c8nr90141d |
0.462 |
|
2018 |
De SK, Mondal S, Sen P, Pal U, Pathak B, Rawat KS, Bardhan M, Bhattacharya M, Satpati B, De A, Senapati D. Crystal-defect-induced facet-dependent electrocatalytic activity of 3D gold nanoflowers for the selective nanomolar detection of ascorbic acid. Nanoscale. PMID 29872830 DOI: 10.1039/C8Nr03087A |
0.575 |
|
2018 |
Rawat KS, Pathak B. Flexible proton-responsive ligand-based Mn(i) complexes for CO hydrogenation: a DFT study. Physical Chemistry Chemical Physics : Pccp. PMID 29691520 DOI: 10.1039/C7Cp08637G |
0.633 |
|
2018 |
Rawat KS, Pathak B. The significance of acid-base properties in the key ligand for
$$\hbox {CO}_{2}$$
CO
2
hydrogenation: role of amido ligand Journal of Chemical Sciences. 130. DOI: 10.1007/S12039-018-1477-5 |
0.628 |
|
2017 |
Roy G, Banerjee M, Karri R, Chalana A, Das R, Rai RK, Rawat KS, Pathak B. Protection of Endogenous Thiols Against Methylmercury by Benzimidazole-based Thione via Unusual Ligand Exchange Reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28121053 DOI: 10.1002/Chem.201605238 |
0.563 |
|
2017 |
Mahata A, Garg P, Rawat KS, Bhauriyal P, Pathak B. A free-standing platinum monolayer as an efficient and selective catalyst for the oxygen reduction reaction Journal of Materials Chemistry A. 5: 5303-5313. DOI: 10.1039/C7Ta00685C |
0.609 |
|
2017 |
Rawat KS, Pathak B. Aliphatic Mn–PNP complexes for the CO2 hydrogenation reaction: a base free mechanism Catalysis Science & Technology. 7: 3234-3242. DOI: 10.1039/C7Cy00737J |
0.662 |
|
2017 |
Rawat KS, Mahata A, Pathak B. Thermochemical and electrochemical CO2 reduction on octahedral Cu nanocluster: Role of solvent towards product selectivity Journal of Catalysis. 349: 118-127. DOI: 10.1016/J.Jcat.2017.03.011 |
0.623 |
|
2016 |
Choudhuri I, Kumar S, Mahata A, Rawat KS, Pathak B. Transition-metal embedded carbon nitride monolayers: high-temperature ferromagnetism and half-metallicity. Nanoscale. PMID 27321785 DOI: 10.1039/C6Nr03282F |
0.678 |
|
2016 |
Dwivedi AD, Binnani C, Tyagi D, Rawat KS, Li PZ, Zhao Y, Mobin SM, Pathak B, Singh SK. Troponate/Aminotroponate Ruthenium-Arene Complexes: Synthesis, Structure, and Ligand-Tuned Mechanistic Pathway for Direct C-H Bond Arylation with Aryl Chlorides in Water. Inorganic Chemistry. PMID 27305143 DOI: 10.1021/Acs.Inorgchem.6B01028 |
0.588 |
|
2016 |
Mahata A, Rawat KS, Choudhuri I, Pathak B. Octahedral Ni-nanocluster (Ni85) for Efficient and Selective Reduction of Nitric Oxide (NO) to Nitrogen (N2). Scientific Reports. 6: 25590. PMID 27157072 DOI: 10.1038/Srep25590 |
0.744 |
|
2016 |
Mahata A, Rawat KS, Choudhuri I, Pathak B. Single-layered platinum nanocage: a highly selective and efficient catalyst for fuel cells Journal of Materials Chemistry A. 4: 12756-12767. DOI: 10.1039/C6Ta03245A |
0.717 |
|
2016 |
Mahata A, Rawat KS, Choudhuri I, Pathak B. Cuboctahedral vs. octahedral platinum nanoclusters: insights into the shape-dependent catalytic activity for fuel cell applications Catalysis Science & Technology. 6: 7913-7923. DOI: 10.1039/C6Cy01709F |
0.719 |
|
2016 |
Mahata A, Bhauriyal P, Rawat KS, Pathak B. Pt3Ti (Ti19@Pt60)-Based Cuboctahedral Core–Shell Nanocluster Favors a Direct over Indirect Oxygen Reduction Reaction Acs Energy Letters. 1: 797-805. DOI: 10.1021/Acsenergylett.6B00385 |
0.599 |
|
2016 |
Rawat KS, Mahata A, Pathak B. Catalytic Hydrogenation of CO2 by Fe Complexes Containing Pendant Amines: Role of Water and Base Journal of Physical Chemistry C. 120: 26652-26662. DOI: 10.1021/Acs.Jpcc.6B09333 |
0.645 |
|
2016 |
Rawat KS, Mahata A, Choudhuri I, Pathak B. Catalytic Hydrogenation of CO2 by Manganese Complexes: Role of π-Acceptor Ligands The Journal of Physical Chemistry C. 120: 16478-16488. DOI: 10.1021/Acs.Jpcc.6B05065 |
0.728 |
|
2016 |
Rawat KS, Mahata A, Choudhuri I, Pathak B. N-Heterocylic Carbene-Based Mn Electrocatalyst for Two-Electron CO2Reduction over Proton Reduction The Journal of Physical Chemistry C. 120: 8821-8831. DOI: 10.1021/Acs.Jpcc.6B02209 |
0.722 |
|
2016 |
CHOUDHURI I, MAHATA A, RAWAT KS, PATHAK B. Role of Ti doping and Al and B vacancies in the dehydrogenation of Al(BH4)3 Journal of Chemical Sciences. 128: 1651-1662. DOI: 10.1007/S12039-016-1148-3 |
0.684 |
|
2015 |
Banerjee M, Karri R, Rawat KS, Muthuvel K, Pathak B, Roy G. Chemical Detoxification of Organomercurials. Angewandte Chemie (International Ed. in English). 54: 9323-7. PMID 26205242 DOI: 10.1002/Anie.201504413 |
0.518 |
|
2015 |
Banerjee M, Karri R, Rawat KS, Muthuvel K, Pathak B, Roy G. Inside Back Cover: Chemical Detoxification of Organomercurials (Angew. Chem. Int. Ed. 32/2015) Angewandte Chemie International Edition. 54: 9419-9419. DOI: 10.1002/Anie.201506278 |
0.492 |
|
2015 |
Banerjee M, Karri R, Rawat KS, Muthuvel K, Pathak B, Roy G. Innenrücktitelbild: Chemical Detoxification of Organomercurials (Angew. Chem. 32/2015) Angewandte Chemie. 127: 9551-9551. DOI: 10.1002/Ange.201506278 |
0.494 |
|
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