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The Journal of Physical Chemistry. A|March 6, 2023
Performance of Density Functionals and Semiempirical 3c Methods for Small Gold-Thiolate ClustersMaya Khatun, Sayan Paul, Saikat Roy, et al.
The Journal of Physical Chemistry. A|November 15, 2022
Insights into the Active Catalyst Formation from Dinuclear Palladium Acetate in Pd-Catalyzed Coupling Reactions: A DFT StudySaikat Roy, Anakuthil Anoop
Physical Chemistry Chemical Physics : PCCP|November 12, 2025
Computational discovery of high-performance B-Al-Ga nanoclusters for oxygen reduction reaction catalysisPratik Sarkar, Maya Khatun, Anakuthil Anoop
Frontiers in Chemistry|October 16, 2019
A Global Optimizer for NanoclustersMaya Khatun, Rajat Shubhro Majumdar, Anakuthil Anoop
Dalton Transactions (Cambridge, England : 2003)|February 22, 2022
Oxygenolysis of a series of copper(II)-flavonolate adducts varying the electronic factors on supporting ligands as a mimic of quercetin 2,4-dioxygenase-like activityNirmalya Podder, Subhasis Dey, Anakuthil Anoop, et al.
Physical Chemistry Chemical Physics : PCCP|January 5, 2026
Cooperative many-body interactions and spectroscopic signatures in (HCN)n and (HNC)n clusters up to n = 15Lazumla T Sherpa, Maya Khatun, Sunanda Panda, et al.
Physical Chemistry Chemical Physics : PCCP|June 30, 2022
CSiGe42+ (n = 1-3): prospective systems containing planar tetracoordinate carbon (ptC)Prasenjit Das, Maya Khatun, Anakuthil Anoop, et al.
Inorganic Chemistry|December 27, 2019
Mononuclear Ruthenium-Based Water Oxidation Catalyst Supported by Anionic, Redox-Non-Innocent Ligand: Heterometallic O-O Bond Formation via Radical Coupling PathwayAnimesh Kundu, Suman Kr Dey, Subhasis Dey, et al.
Physical Chemistry Chemical Physics : PCCP|July 18, 2023
Nanoclusters and nanoalloys of group 13 elements (B, Al, and Ga): benchmarking of methods and analysis of their structures and energiesMaya Khatun, Pratik Sarkar, Sunanda Panda, et al.
The Journal of Organic Chemistry|February 8, 2022
Stereochemistry of the Benzylidene γ-Butyrolactone Dictates the Reductive Heck Cyclization Mode in the Asymmetric Synthesis of Aryltetralin Lignans: A Detailed Experimental and Theoretical StudyBiswajit Sen, Saikat Roy, Sujay Garai, et al.
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