Publications

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2026

Stabilization of Ligand‐Free Small Gold Nanocluster Within a Metal–Organic Framework for Enhanced Hydrogen Evolution and Horseradish Peroxidase‐Mimicking Catalysis in Aqueous Media

G James, R K Aparna, Dhananjay, A Karmakar, V Tiwari, U S Manjunatha, S S Rose, A Kumar, Nonappa, S Yamazoe, S Kikkawa, V C Prabhakaran, R Narayanan, S Kundu*, T Karmakar*, S Mandal*
Small, 2026, 22, e74276

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Aggregation-Mediated Cuprophilic Interactions Governing the Luminescence of a Cu6 Nanocluster

B-L Han, P-P Sun, Z-N Wu, R Narwal, V Tiwari, R K Gupta, T Karmakar, Z Wang*, C-H Tung, D Sun*
Chemistry of Materials, 2026, 38(7), 3202–3210

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2025

Dynamics of gold nanocluster on MgO surface with F-center defect and its implication for CO oxidation

V Tiwari, Dhananjay, T Karmakar*
The Journal of Chemical Physics, 2025, 163, 214715

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Multiscale Modeling Approach to Chiral Nanocluster Self-Assembly

Neha, V Tiwari, S Mondal, T Karmakar*
The Journal of Physical Chemistry Letters, 2025, 16(39), 10187–10194

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Modeling catalytic reaction on ligand-protected metal nanoclusters

V Tiwari, T Karmakar*
Chemical Science, 2025, 16, 12080-12086

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Understanding the Mechanism of Nanocluster Formation from Machine-Learned Potential-based Simulations

V Tiwari, T Karmakar*
Nano Letters, 2025, 25(14), 5940–5946

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Ligand‐Mediated Highly Ordered Aggregation of 5‐Mercapto‐2‐Nitrobenzoic Acid Protected Atomically Precise Silver Nanocluster

S Roy, V Tiwari, T Karmakar*, I Chakraborty*
Small, 2025, 2412468

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2024

Synthesis of Cyclic (Alkyl)(amino) carbene-Stabilized Copper–Iron Heterobimetallic Complexes

A Sharma, V Tiwari, R Yadav, B Das, C Majumder, A Das, T Karmakar*, S Kundu*
Organometallics, 2024, 43(23), 3054-3061
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Stereoselective gem-Difunctionalization of Diazo Compounds with Vinyl Sulfoxonium Ylides and Thiols via Metalloradical Catalysis

S Bhardwaj, DK Gopalakrishnan, S Deshwal, R Sen, V Tiwari, T Karmakar*, J Vaitla*
ACS Catalysis, 2024, 14(4), 2805-2815
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Electrostatic-driven self-assembly of Janus-like monolayer-protected metal nanoclusters

A Bhattacharyya, V Tiwari, T Karmakar*
The Journal of Physical Chemistry Letters, 2024, 15(3), 687-692
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A molecular dynamics study on the ion-mediated self-assembly of monolayer-protected nanoclusters

V Tiwari, A Bhattacharyya, T Karmakar*
Nanoscale, 2024, 16(32), 15141-15147
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2023

Understanding Molecular Aggregation of Ligand-Protected Atomically-Precise Metal Nanoclusters

V Tiwari, T Karmakar*
The Journal of Physical Chemistry Letters, 2023, 14(29), 6686–6694
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Cooperative Friedel–Crafts Alkylation of Electron-Deficient Arenes via Catalyst Activation with Hexafluoroisopropanol

S Singh, S Mondal, V Tiwari, T Karmakar*, C K Hazra*
Chemistry A European Journal, 2023, 29(18), e202300180
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Insights into the interactions of peptides with monolayer-protected metal nanoclusters

V Tiwari, S Garg, T Karmakar*
ACS Applied Bio Materials, 2023, 7(2), 685-691
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Reduction of esters to alcohols and iodides using aminodiborane (μ-NH₂B₂H₅): scope and mechanistic investigations

A Nair, V Tiwari, S Rath, P Saini, A Verma, A J Elias*
Chemical Communications, 2023, 59(74), 11117-11120
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In situ generated aminodiborane as a reagent for deoxygenative reduction of carboxamides to amines

A Nair, V Tiwari, A Verma, P Saini, A J Elias*
Organic Chemistry Frontiers, 2023, 10(2), 327-334
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Understanding cyclic (alkyl)(amino) carbene–copper complex catalysed N–H and O–H bond addition to electron deficient olefins

A Tyagi, S Mondal, Anmol, V Tiwari, T Karmakar*, S Kundu*
Chemical Communications, 2023, 59(1), 110-113
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2022

Collective Variables for Crystallization Simulations─ from Early Developments to Recent Advances

Neha, V Tiwari, S Mondal, N Kumari, T Karmakar*
ACS omega, 2022, 8(1), 127-146
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A Catalyst and Solvent Free Route for the Synthesis of N‐Substituted Pyrrolidones from Levulinic Acid

P Dolui, V Tiwari, P Saini, T Karmakar, K Makhal, H Goel, A J Elias*
Chemistry–A European Journal, 2022, 28(43), e202200829
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2020

Catalytic Oxidation of Alcohols and Amines to Value‐Added Chemicals using Water as the Solvent

S Hazra, E Malik, A Nair, V Tiwari, P Dolui, A J Elias*
Chemistry–An Asian Journal, 2020, 15(13), 1916-1936
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NaCl as Catalyst and Water as Solvent: Highly E-Selective Olefination

S Hazra, V Tiwari, A Verma, P Dolui, A J Elias*
Organic Letters, 2020, 22(14), 5496-5501
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