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List of works by Biswarup Pathak

A Computational Study of a Single-Walled Carbon-Nanotube-Based Ultrafast High-Capacity Aluminum Battery

scientific article

A computational study on ligand assisted vs. ligand participation mechanisms for CO2 hydrogenation: importance of bifunctional ligand based catalysts

scientific article published on 01 February 2019

A cuboctahedral platinum (Pt79) nanocluster enclosed by well defined facets favours di-sigma adsorption and improves the reaction kinetics for methanol fuel cells

scientific article published on 09 July 2015

Anaerobic photocleavage of DNA in red light by dicopper(II) complexes of 3,3'-dithiodipropionic acid.

scientific article published in January 2009

Band gap opening in stanene induced by patterned B-N doping

scientific article published on 17 January 2017

Bimetallic core-based cuboctahedral core-shell nanoclusters for the formation of hydrogen peroxide (2e- reduction) over water (4e- reduction): role of core metals

scientific article published on 29 June 2017

Bond length and bond multiplicity: σ-bond prevents short π-bonds

scientific article published on 18 April 2006

Borane derivatives: a new class of super- and hyperhalogens

scientific article published on 27 July 2011

C60-mediated hydrogen desorption in Li-N-H systems

scientific article published on 09 November 2012

Cationic-anionic mediated charge compensation on La2Ti2O7 for visible light photocatalysis.

scientific article published in October 2013

Chemical Detoxification of Organomercurials.

scientific article published on 16 July 2015

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.

scientific article published in October 2005

Correction to Anaerobic Photocleavage of DNA in Red Light by Dicopper(II) Complexes of 3,3'-Dithiodipropionic Acid

scientific article published on 19 June 2019

Correction: Crystal-defect-induced facet-dependent electrocatalytic activity of 3D gold nanoflowers for the selective nanomolar detection of ascorbic acid

scientific article published on 01 July 2018

Crystal-defect-induced facet-dependent electrocatalytic activity of 3D gold nanoflowers for the selective nanomolar detection of ascorbic acid

scientific article published on 01 June 2018

Defects Engineering on Ceria and C-C Coupling Reactions Using [Au<sub>11</sub>(PPh<sub>3</sub>)<sub>7</sub>I<sub>3</sub>] Nanocluster: A Combined Experimental and Theoretical Study

scientific article published on 30 November 2020

Direct vs. indirect pathway for nitrobenzene reduction reaction on a Ni catalyst surface: a density functional study

scientific article published on 04 November 2014

Double-Exchange Magnetic Interactions in High-Temperature Ferromagnetic Iron Chalcogenide Monolayers

scientific article published on 28 February 2019

Double-functionalized nanopore-embedded gold electrodes for rapid DNA sequencing

Electronic Transport through DNA Nucleotides in Atomically Thin Phosphorene Electrodes for Rapid DNA Sequencing

scientific article published on 21 December 2018

Emergence of Topological insulator and Nodal line semi-metal states in XX'Bi (X = Na, K, Rb, Cs; X' = Ca, Sr)

scientific article published in Scientific Reports

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

scientific article published on 7 September 2017

Ferromagnetism and Half-Metallicity in Atomically Thin Holey Nitrogenated Graphene Based Systems

scientific article published on 30 June 2017

Ferromagnetism and Half-Metallicity in a High-Band-Gap Hexagonal Boron Nitride System

scientific article published on 13 October 2017

Ferromagnetism in magnesium chloride monolayer with an unusually large spin-up gap

scientific article published on 22 November 2018

First-Principles Study of Magnesium Peroxide Nucleation for Mg-Air Battery

scientific article published on 11 October 2018

Flexible proton-responsive ligand-based Mn(i) complexes for CO2 hydrogenation: a DFT study.

scientific article published on 25 April 2018

Functionalized boranes for hydrogen storage

scientific article published on 11 November 2011

Guest-Induced Ultrasensitive Detection of Multiple Toxic Organics and Fe3+ Ions in a Strategically Designed and Regenerative Smart Fluorescent Metal-Organic Framework

scientific article published on 19 February 2019

High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system: long range ferromagnetism

scientific article published on 01 September 2018

High-Performance Water Harvester Framework for Triphasic and Synchronous Detection of Assorted Organotoxins with Site-Memory-Reliant Security Encryption via pH-Triggered Fluoroswitching

scientific article published in 2021

High-energy-density dual-ion battery for stationary storage of electricity using concentrated potassium fluorosulfonylimide

scientific article published in Nature Communications

Hole mediated coupling in Sr2Nb2O7 for visible light photocatalysis

scientific article published on 05 March 2012

Identification of Intermediate Au22(SR)4(SR')14 Cluster on Ligand-Induced Transformation of Au25(SR)18 Nanocluster

scientific article published on 30 July 2019

Identification of Non-Carbonaceous Cathodes in Al Batteries: Potential Applicability of Black and Blue Phosphorene Monolayers

scientific article published on 19 July 2019

Limiting nuclearity in formation of polynuclear metal complexes through [2 + 3] cycloaddition: synthesis and magnetic properties of tri- and pentanuclear metal complexes

scientific article published on 11 April 2014

New insights into the visible-light-induced DNA cleavage activity of dipyridoquinoxaline complexes of bivalent 3d-metal ions.

scientific article published on 29 November 2007

Octahedral Ni-nanocluster (Ni85) for Efficient and Selective Reduction of Nitric Oxide (NO) to Nitrogen (N2).

scientific article published on 9 May 2016

Porphyrin nanoribbon-based spin filtering devices

scientific article published on 13 July 2020

Protection of Endogenous Thiols against Methylmercury with Benzimidazole-Based Thione by Unusual Ligand-Exchange Reactions

scientific article published on 25 January 2017

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 rel

scientific article published in August 2006

Role of Dimensionality for Photocatalytic Water Splitting: CdS Nanotube versus Bulk Structure

scientific article published on 04 January 2019

Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study

scientific article published on 26 July 2021

Room-Temperature Magneto-dielectric Effect in LaGa0.7Fe0.3O3+γ; Origin and Impact of Excess Oxygen.

scientific article

Room-temperature chemoselective reduction of nitro groups using non-noble metal nanocatalysts in water.

scientific article

Semiconducting allotrope of graphene

scientific article published on 04 September 2012

Serendipitous base catalysed condensation-heteroannulation of iminoesters: a regioselective route to the synthesis of 4,6-disubstituted 5-azaindoles

scientific article published on 01 February 2020

Size Evolution Dynamics of Gold Nanoclusters at an Atom-Precision Level: Ligand Exchange, Growth Mechanism, Electrochemical, and Photophysical Properties

scientific article published on 20 February 2020

Stanene based gas sensors: effect of spin-orbit coupling

scientific article published on 17 November 2017

Synergistic Effect of Bridging Thiolate and Hub Atoms for the Aromaticity Driven Symmetry Breaking in Atomically Precise Gold Nanocluster

scientific article published on 12 November 2020

Tandem Si-C and C-H activation for decamethylhafnocene and bis(trimethylsilyl)acetylene

scientific article published on 01 January 2007

Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities

scientific article published on 4 November 2015

The staging mechanism of AlCl4 intercalation in a graphite electrode for an aluminium-ion battery

scientific article

Theoretical study of the reaction of B20H16 with MeCN: closo/closo to closo/nido conversion

scientific article published on 26 April 2008

Transition-metal embedded carbon nitride monolayers: high-temperature ferromagnetism and half-metallicity

scientific article published on 20 June 2016

Transverse conductance of DNA nucleotides in a graphene nanogap from first principles.

scientific article published on 15 April 2011

Troponate/Aminotroponate Ruthenium-Arene Complexes: Synthesis, Structure, and Ligand-Tuned Mechanistic Pathway for Direct C-H Bond Arylation with Aryl Chlorides in Water

scientific article published on 15 June 2016

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