Biswarup Pathak - Publications

Affiliations: 
2002-2007 School of Chemistry University of Hyderabad and Indian Institute of Science 

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Year Citation  Score
2021 Mandal SC, Pathak B. Identifying the preferential pathways of CO capture and hydrogenation to methanol over an Mn(I)-PNP catalyst: a computational study. Dalton Transactions (Cambridge, England : 2003). PMID 34160489 DOI: 10.1039/d1dt01208h  0.48
2020 Das AK, Mukherjee S, R SS, Nair AS, Bhandary S, Chopra D, Sanyal D, Pathak B, Mandal S. Defects Engineering on Ceria and C-C Coupling Reactions Using [Au(PPh)I] Nanocluster: A Combined Experimental and Theoretical Study. Acs Nano. PMID 33253533 DOI: 10.1021/acsnano.0c03010  0.52
2020 Maman MP, Nair AS, Abdul Hakkim Nazeeja AM, Pathak B, Mandal S. Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aromaticity Driven Symmetry Breaking in Atomically Precise Gold Nanocluster. The Journal of Physical Chemistry Letters. 10052-10059. PMID 33179940 DOI: 10.1021/acs.jpclett.0c02996  0.52
2020 Bhattacharyya G, Kumawat RL, Pathak B. Porphyrin nanoribbon-based spin filtering devices. Physical Chemistry Chemical Physics : Pccp. PMID 32657293 DOI: 10.1039/D0Cp02127J  0.56
2020 Barman CK, Mondal C, Pathak B, Alam A. Symmetry-driven topological phases in XAgBi (X=Ba,Sr): An ab initio hybrid functional calculation Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.084201  0.6
2020 Mondal C, Barman CK, Sarkar S, Barman SR, Alam A, Pathak B. Unique Dirac and triple point fermiology in simple transition metals and their binary alloys Physical Review B. 101: 155108. DOI: 10.1103/Physrevb.101.155108  0.6
2020 Das A, Nair AS, Pathak B. Elucidating Mechanistic Origin of the Catalytic Activity of the Fe(111) Surface and Nanoclusters toward the Electrochemical Nitrogen Reduction Reaction Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.0C05776  0.52
2020 Kumawat RL, Pathak B. Prospects of Black Phosphorus Nanoribbon for Explosive Sensing: A Computational Approach Applied Surface Science. 529: 147094. DOI: 10.1016/J.Apsusc.2020.147094  0.56
2019 Roy G, Chalana A, Karri R, Mandal SC, Pathak B. Chemical Degradation of Mercury Alkyls Mediated by Copper Selenide Nanosheets. Chemistry, An Asian Journal. PMID 31574211 DOI: 10.1002/Asia.201901077  0.48
2019 George A, Sundar A, Nair AS, Maman MP, Pathak B, Ramanan N, Mandal S. Identification of Intermediate Au(SR)(SR') Cluster on Ligand-Induced Transformation of Au(SR) Nanocluster. The Journal of Physical Chemistry Letters. 4571-4576. PMID 31339731 DOI: 10.1021/Acs.Jpclett.9B01856  0.52
2019 Lahiri D, Bhowmick T, Pathak B, Shameema O, Patra AK, Ramakumar S, Chakravarty AR. Correction to Anaerobic Photocleavage of DNA in Red Light by Dicopper(II) Complexes of 3,3'-Dithiodipropionic Acid. Inorganic Chemistry. PMID 31247855 DOI: 10.1021/Acs.Inorgchem.9B00930  0.48
2019 Bhauriyal P, Pathak B. Identification of Non-Carbonaceous Cathodes in Al Batteries: Potential Applicability of Black and Blue Phosphorene Monolayers. Chemistry, An Asian Journal. PMID 31226233 DOI: 10.1002/Asia.201900693  0.64
2019 Kumar S, Mondal C, Pathak B. Double-Exchange Magnetic Interactions in High-Temperature Ferromagnetic Iron Chalcogenide Monolayer. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30724434 DOI: 10.1002/Cphc.201900002  0.76
2019 Goswami R, Mandal SC, Pathak B, Neogi S. Guest-induced Ultrasensitive Detection of Multiple Toxic Organics and Fe Ions in a Strategically Designed and Regenerative Smart Fluorescent MOF. Acs Applied Materials & Interfaces. PMID 30717599 DOI: 10.1021/Acsami.8B20013  0.48
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  1
2019 Mondal C, Barman CK, Kumar S, Alam A, Pathak B. Emergence of Topological insulator and Nodal line semi-metal states in XX'Bi (X = Na, K, Rb, Cs; X' = Ca, Sr). Scientific Reports. 9: 527. PMID 30679682 DOI: 10.1038/S41598-018-36869-0  0.76
2019 Mondal C, Barman CK, Pathak B, Alam A. Type-II Dirac states in full Heusler compounds XInPd2 (X = Ti, Zr, and Hf) Physical Review B. 100. DOI: 10.1103/Physrevb.100.245151  0.6
2019 Mahata A, Nair AS, Pathak B. Recent advancements in Pt-nanostructure-based electrocatalysts for the oxygen reduction reaction Catalysis Science & Technology. 9: 4835-4863. DOI: 10.1039/C9Cy00895K  0.76
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  1
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  1
2019 Kumawat RL, Pathak B. Individual Identification of DNA Nucleobases on AtomicallyThin Black Phosphorene Nanoribbons: van der Waals Corrected DensityFunctional Theory Calculations Journal of Physical Chemistry C. 123: 22377-22383. DOI: 10.1021/Acs.Jpcc.9B06239  0.56
2019 Kumar S, Kumawat RL, Pathak B. Spin-Polarized Current in Ferromagnetic Half-Metallic Transition-Metal Iodide Nanowires Journal of Physical Chemistry C. 123: 15717-15723. DOI: 10.1021/Acs.Jpcc.9B02464  0.76
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  1
2019 Nair AS, Pathak B. Computational Screening for ORR Activity of 3d Transition Metal Based M@Pt Core–Shell Clusters Journal of Physical Chemistry C. 123: 3634-3644. DOI: 10.1021/Acs.Jpcc.8B11483  0.52
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  1
2019 Binnani C, Mandal SC, Pathak B, Singh SK. Ruthenium‐Catalyzed C‐H Bond Activation/Arylation Accelerated by Biomass‐Derived Ligands European Journal of Inorganic Chemistry. 2019: 2844-2852. DOI: 10.1002/Ejic.201900218  0.48
2018 Kumawat RL, Garg P, Kumar S, Pathak B. Electronic Transport through DNA Nucleotides in Atomically Thin Phosphorene Electrodes for Rapid DNA Sequencing. Acs Applied Materials & Interfaces. PMID 30540178 DOI: 10.1021/Acsami.8B17239  0.76
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  1
2018 Bhattacharyya G, Choudhuri I, Bhauriyal P, Garg P, Pathak B. Ferromagnetism in magnesium chloride monolayer with an unusually large spin-up gap. Nanoscale. PMID 30465686 DOI: 10.1039/C8Nr07429A  1
2018 Kravchyk KV, Bhauriyal P, Piveteau L, Guntlin CP, Pathak B, Kovalenko MV. High-energy-density dual-ion battery for stationary storage of electricity using concentrated potassium fluorosulfonylimide. Nature Communications. 9: 4469. PMID 30367050 DOI: 10.1038/S41467-018-06923-6  0.64
2018 Bhattacharyya G, Choudhuri I, Pathak B. High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system: long range ferromagnetism. Physical Chemistry Chemical Physics : Pccp. PMID 30152516 DOI: 10.1039/C8Cp03440K  1
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  1
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  1
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  1
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  1
2018 Mondal C, Kumar S, Pathak B. Topologically protected hybrid states in graphene–stanene–graphene heterojunctions Journal of Materials Chemistry C. 6: 1920-1925. DOI: 10.1039/C7Tc05212J  0.76
2017 Garg P, Choudhuri I, Pathak B. Stanene based gas sensors: effect of spin-orbit coupling. Physical Chemistry Chemical Physics : Pccp. PMID 29148549 DOI: 10.1039/C7Cp06133A  1
2017 Choudhuri I, Pathak B. Ferromagnetism and Half-Metallicity in a High Band Gap h-BN System. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29028146 DOI: 10.1002/Cphc.201700759  1
2017 Bhattacharya M, Mazov V, Satpati B, Jena P, Das Chakraborty S, Kumar S, Pathak B, Kuznetsov DV, Senapati D. Exploiting Le Chatelier's principle for a one-pot synthesis of nontoxic HHogGNPs with the sharpest nanoscopic features suitable for tunable plasmon spectroscopy and high throughput SERS sensing. Chemical Communications (Cambridge, England). PMID 28880329 DOI: 10.1039/C7Cc05419J  0.76
2017 Choudhuri I, Pathak B. Ferromagnetism and Half-metallicity in Atomically Thin Holey Nitrogenated Graphene Based System. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28665014 DOI: 10.1002/Cphc.201700633  1
2017 Mahata A, Pathak B. Bimetallic core-based cuboctahedral core-shell nanoclusters for the formation of hydrogen peroxide (2e(-) reduction) over water (4e(-) reduction): role of core metals. Nanoscale. PMID 28661523 DOI: 10.1039/C7Nr03002A  0.76
2017 Bhauriyal P, Mahata A, Pathak B. Single-walled Carbon Nanotube Based Ultrafast High Capacity Al-ion Battery. Chemistry, An Asian Journal. PMID 28493516 DOI: 10.1002/Asia.201700570  0.76
2017 Rai HM, Singh P, Saxena SK, Mishra V, Warshi MK, Kumar R, Rajput P, Sagdeo A, Choudhuri I, Pathak B, Sagdeo PR. Room-Temperature Magneto-dielectric Effect in LaGa0.7Fe0.3O3+γ; Origin and Impact of Excess Oxygen. Inorganic Chemistry. PMID 28306265 DOI: 10.1021/Acs.Inorgchem.6B02507  1
2017 Bhauriyal P, Mahata A, Pathak B. The staging mechanism of AlCl4 intercalation in a graphite electrode for an aluminium-ion battery. Physical Chemistry Chemical Physics : Pccp. PMID 28263339 DOI: 10.1039/C7Cp00453B  0.76
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  1
2017 Garg P, Choudhuri I, Mahata A, Pathak B. Band gap opening in stanene induced by patterned B-N doping. Physical Chemistry Chemical Physics : Pccp. PMID 28094366 DOI: 10.1039/C6Cp07505C  1
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  1
2017 Bhauriyal P, Mahata A, Pathak B. Hexagonal BC3 Electrode for a High-Voltage Al-Ion Battery Journal of Physical Chemistry C. 121: 9748-9756. DOI: 10.1021/Acs.Jpcc.7B02290  0.76
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  1
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  1
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  0.84
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  1
2016 Das M, Mandal P, Malviya N, Choudhuri I, Charmier MAJ, Morgado S, Mobin SM, Pathak B, Mukhopadhyay S. Copper complexes with a flexible piperazinyl arm: nuclearity driven catecholase activity and interactions with biomolecules Journal of Coordination Chemistry. 1-19. DOI: 10.1080/00958972.2016.1236193  0.84
2016 Choudhuri I, Garg P, Pathak B. TM@gt-C3N3 monolayers: High-temperature ferromagnetism and high anisotropy Journal of Materials Chemistry C. 4: 8253-8262. DOI: 10.1039/C6Tc03030K  0.84
2016 Sharma B, Mahata A, Mandani S, Sarma TK, Pathak B. Coordination polymer hydrogels through Ag(I)-mediated spontaneous self-assembly of unsubstituted nucleobases and their antimicrobial activity Rsc Advances. 6: 62968-62973. DOI: 10.1039/C6Ra11137H  0.76
2016 Rai RK, Gupta K, Tyagi D, Mahata A, Behrens S, Yang X, Xu Q, Pathak B, Singh SK. Access to highly active Ni–Pd bimetallic nanoparticle catalysts for C–C coupling reactions Catalysis Science & Technology. 6: 5567-5579. DOI: 10.1039/C6Cy00037A  0.76
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  1
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  1
2016 Garg P, Kumar S, Choudhuri I, Mahata A, Pathak B. Hexagonal Planar CdS Monolayer Sheet for Visible Light Photocatalysis Journal of Physical Chemistry C. 120: 7052-7060. DOI: 10.1021/Acs.Jpcc.6B01622  0.84
2015 Saha M, Das M, Nasani R, Choudhuri I, Yousufuddin M, Nayek HP, Shaikh MM, Pathak B, Mukhopadhyay S. Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities. Dalton Transactions (Cambridge, England : 2003). PMID 26530012 DOI: 10.1039/C5Dt01471A  0.84
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  0.84
2015 Mahata A, Choudhuri I, Pathak B. A cuboctahedral platinum (Pt79) nanocluster enclosed by well defined facets favours di-sigma adsorption and improves the reaction kinetics for methanol fuel cells. Nanoscale. 7: 13438-51. PMID 26155948 DOI: 10.1039/C5Nr01575H  1
2015 Misra R, Maragani R, Pathak B, Gautam P, Mobin SM. Star shaped ferrocenyl substituted triphenylamines Rsc Advances. 5: 71046-71051. DOI: 10.1039/C5Ra13400E  0.84
2015 Choudhuri I, Patra N, Mahata A, Ahuja R, Pathak B. B-N@Graphene: Highly Sensitive and Selective Gas Sensor Journal of Physical Chemistry C. 119: 24827-24836. DOI: 10.1021/Acs.Jpcc.5B07359  0.84
2015 Banerjee P, Pathak B, Ahuja R, Das GP. First principles design of Li functionalized hydrogenated h-BN nanosheet for hydrogen storage International Journal of Hydrogen Energy. DOI: 10.1016/J.Ijhydene.2016.02.113  0.84
2014 Mahata A, Rai RK, Choudhuri I, Singh SK, Pathak B. Direct vs. indirect pathway for nitrobenzene reduction reaction on a Ni catalyst surface: a density functional study. Physical Chemistry Chemical Physics : Pccp. 16: 26365-74. PMID 25367892 DOI: 10.1039/C4Cp04355C  0.84
2014 Saha M, Nasani R, Das M, Mahata A, Pathak B, Mobin SM, Carrella LM, Rentschler E, Mukhopadhyay S. Limiting nuclearity in formation of polynuclear metal complexes through [2 + 3] cycloaddition: synthesis and magnetic properties of tri- and pentanuclear metal complexes. Dalton Transactions (Cambridge, England : 2003). 43: 8083-93. PMID 24722585 DOI: 10.1039/C4Dt00378K  0.84
2014 Rai RK, Mahata A, Mukhopadhyay S, Gupta S, Li PZ, Nguyen KT, Zhao Y, Pathak B, Singh SK. Room-temperature chemoselective reduction of nitro groups using non-noble metal nanocatalysts in water. Inorganic Chemistry. 53: 2904-9. PMID 24564248 DOI: 10.1021/Ic402674Z  0.84
2014 Saha M, Nasani R, Das M, Mobin SM, Pathak B, Mukhopadhyay S. The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition Inorganic Chemistry Frontiers. 1: 599-610. DOI: 10.1039/C4Qi00089G  0.84
2014 Guo Z, Sa B, Pathak B, Zhou J, Ahuja R, Sun Z. Band gap engineering in huge-gap semiconductor SrZrO3 for visible-light photocatalysis International Journal of Hydrogen Energy. 39: 2042-2048. DOI: 10.1016/J.Ijhydene.2013.11.055  0.84
2013 Liu P, Nisar J, Pathak B, Ahuja R. Cationic-anionic mediated charge compensation on La2Ti2O7 for visible light photocatalysis. Physical Chemistry Chemical Physics : Pccp. 15: 17150-7. PMID 24013462 DOI: 10.1039/C3Cp52269E  0.84
2013 Li Y, Pathak B, Nisar J, Qian Z, Ahuja R. Metal-decorated graphene oxide for ammonia adsorption Epl. 103. DOI: 10.1209/0295-5075/103/28007  0.84
2013 Hussain T, Maark TA, Pathak B, Ahuja R. Improvement in the hydrogen desorption from MgH2 upon transition metals doping: A hybrid density functional calculations Aip Advances. 3. DOI: 10.1063/1.4826521  0.84
2013 Li Y, De Sarkar A, Pathak B, Ahuja R. Strain-induced stabilization of Al functionalization in graphene oxide nanosheet for enhanced NH3 storage Applied Physics Letters. 102. DOI: 10.1063/1.4811494  0.84
2013 Mathur P, Rai DK, Ji RS, Pathak B, Boodida S, Mobin SM. Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl) phosphine ligated chalcogen bridged iron carbonyl clusters Rsc Advances. 3: 26025-26034. DOI: 10.1039/C3Ra44788J  0.84
2013 Wang B, Kanhere PD, Chen Z, Nisar J, Pathak B, Ahuja R. Anion-doped NaTaO3 for visible light photocatalysis Journal of Physical Chemistry C. 117: 22518-22524. DOI: 10.1021/Jp407025R  0.84
2013 Prasongkit J, Grigoriev A, Pathak B, Ahuja R, Scheicher RH. Theoretical study of electronic transport through dna nucleotides in a double-functionalized graphene nanogap Journal of Physical Chemistry C. 117: 15421-15428. DOI: 10.1021/Jp4048743  0.84
2013 Liu P, Nisar J, Sa B, Pathak B, Ahuja R. Anion-anion mediated coupling in layered perovskite La2Ti 2O7 for visible light photocatalysis Journal of Physical Chemistry C. 117: 13845-13852. DOI: 10.1021/Jp402971B  0.84
2013 Mathur P, Ji RS, Pathak B, Mobin SM. Formation of (E)-[FcC(PS2(OR)2)CH(PS2(OR)2)] (R = Me, Et, iPr) in photolytic reactions of ferrocenylacetylene and [(RO)2PS2H] in hexane/alcohols: Experimental and DFT study Journal of Organometallic Chemistry. 748: 46-50. DOI: 10.1016/J.Jorganchem.2013.04.021  0.56
2013 Saha M, Nasani R, Mobin SM, Pathak B, Mukhopadhyay S. The effect of remote substitution on formation of preferential geometrical isomer of cobalt(III)–tetrazolato complexes formed via [2+3] cycloaddition Inorganic Chemistry Communications. 34: 62-67. DOI: 10.1016/J.Inoche.2013.04.022  0.56
2013 Qian Z, Pathak B, Ahuja R. Energetic and structural analysis of N2H4BH 3 inorganic solid and its modified material for hydrogen storage International Journal of Hydrogen Energy. 38: 6718-6725. DOI: 10.1016/J.Ijhydene.2013.03.124  0.84
2012 Qian Z, Li S, Pathak B, Araújo CM, Ahuja R, Jena P. C60-mediated hydrogen desorption in Li-N-H systems. Nanotechnology. 23: 485406. PMID 23138595 DOI: 10.1088/0957-4484/23/48/485406  0.84
2012 Nisar J, Jiang X, Pathak B, Zhao J, Kang TW, Ahuja R. Semiconducting allotrope of graphene. Nanotechnology. 23: 385704. PMID 22947918 DOI: 10.1088/0957-4484/23/38/385704  0.84
2012 Nisar J, Pathak B, Wang B, Kang TW, Ahuja R. Hole mediated coupling in Sr2Nb2O7 for visible light photocatalysis. Physical Chemistry Chemical Physics : Pccp. 14: 4891-7. PMID 22389023 DOI: 10.1039/C2Cp23912D  0.84
2012 Pathak B, Pradhan K, Hussain T, Ahuja R, Jena P. Functionalized boranes for hydrogen storage. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 300-4. PMID 22076916 DOI: 10.1002/Cphc.201100585  0.84
2012 Hussain T, Pathak B, Maark TA, Ramzan M, Ahuja R. Functionalization of graphane with alkali and alkaline-earth metals: An insulator-to-metallic transition Epl. 99: 47004. DOI: 10.1209/0295-5075/99/47004  0.84
2012 Kaewmaraya T, Pathak B, Araujo CM, Rosa AL, Ahuja R. Water adsorption on ZnO(101̄0): The role of intrinsic defects Epl. 97. DOI: 10.1209/0295-5075/97/17014  0.84
2012 Hussain T, Pathak B, Ramzan M, Maark TA, Ahuja R. Calcium doped graphane as a hydrogen storage material Applied Physics Letters. 100: 183902. DOI: 10.1063/1.4710526  0.84
2012 Pathak B, Löfås H, Prasongkit J, Grigoriev A, Ahuja R, Scheicher RH. Double-functionalized nanopore-embedded gold electrodes for rapid DNA sequencing Applied Physics Letters. 100. DOI: 10.1063/1.3673335  0.84
2012 Qian Z, Hudson MSL, Raghubanshi H, Scheicher RH, Pathak B, Araújo CM, Blomqvist A, Johansson B, Srivastava ON, Ahuja R. Excellent catalytic effects of graphene nanofibers on hydrogen release of sodium alanate Journal of Physical Chemistry C. 116: 10861-10866. DOI: 10.1021/Jp300934H  0.84
2011 Pathak B, Samanta D, Ahuja R, Jena P. Borane derivatives: a new class of super- and hyperhalogens. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 2423-8. PMID 21796754 DOI: 10.1002/Cphc.201100320  0.84
2011 Prasongkit J, Grigoriev A, Pathak B, Ahuja R, Scheicher RH. Transverse conductance of DNA nucleotides in a graphene nanogap from first principles. Nano Letters. 11: 1941-5. PMID 21495701 DOI: 10.1021/Nl200147X  0.84
2011 Hussain T, Pathak B, Adit Maark T, Moyses Araujo C, Scheicher RH, Ahuja R. Ab initio study of lithium-doped graphane for hydrogen storage Epl. 96. DOI: 10.1209/0295-5075/96/27013  0.84
2009 Lahiri D, Bhowmick T, Pathak B, Shameema O, Patra AK, Ramakumar S, Chakravarty AR. Anaerobic photocleavage of DNA in red light by dicopper(II) complexes of 3,3'-dithiodipropionic acid. Inorganic Chemistry. 48: 339-49. PMID 19055345 DOI: 10.1021/Ic800806J  0.48
2008 Shameema O, Pathak B, Jemmis ED. Theoretical study of the reaction of B20H16 with MeCN: closo/closo to closo/nido conversion. Inorganic Chemistry. 47: 4375-82. PMID 18439005 DOI: 10.1021/Ic702509J  0.48
2007 Roy M, Pathak B, Patra AK, Jemmis ED, Nethaji M, Chakravarty AR. New insights into the visible-light-induced DNA cleavage activity of dipyridoquinoxaline complexes of bivalent 3d-metal ions. Inorganic Chemistry. 46: 11122-32. PMID 18044877 DOI: 10.1021/Ic701450A  0.48
2007 Beweries T, Burlakov VV, Bach MA, Peitz S, Arndt P, Baumann W, Spannenberg A, Rosenthal U, Pathak B, Jemmis ED. Tandem Si-C and C-H activation for decamethylhafnocene and bis(trimethylsilyl)acetylene. Angewandte Chemie (International Ed. in English). 46: 6907-10. PMID 17615606 DOI: 10.1002/Anie.200701565  0.84
2006 Pathak B, Pandian S, Hosmane N, Jemmis ED. Reversal of stability on metalation of pentagonal-bipyramidal (1-MB6H7(2-) 1-M-2-CB5H7(1-) and 1-M-2,4-C2B4H7) and Icosahedral (1-MB11H12(2-) 1-M-2-CB10H12(1-) and 1-M-2,4-C2B9H12) boranes (M = Al, Ga, In, and Tl): energetics of condensation and relationship to binuclear metallocenes. Journal of the American Chemical Society. 128: 10915-22. PMID 16910687 DOI: 10.1021/Ja061399F  0.48
2006 Jemmis ED, Pathak B, King RB, Schaefer HF. Bond length and bond multiplicity: sigma-bond prevents short pi-bonds. Chemical Communications (Cambridge, England). 2164-6. PMID 16703142 DOI: 10.1039/B602116F  0.48
2005 Jemmis ED, Pathak B, Anoop A. Condensed two- and three-dimensional aromatic systems: a theoretical study on the relative stabilities of isomers of CB19H16+, B20H15Cl, and B20H14Cl2 and comparison to B12H10Cl22-, C6H4Cl2, C10H7Cl, and C10H6Cl2. Inorganic Chemistry. 44: 7184-8. PMID 16180882 DOI: 10.1021/Ic050730D  0.48
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