Publications by authors named "A Anoop"

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Exploring the Chemical Space of Noncovalent Molecular Clusters Using Automated Cluster Building Algorithm and Neural Network Potential.
Sandip Giri, Anakuthil Anoop

J Comput Chem· December 2025

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Computational discovery of high-performance B-Al-Ga nanoclusters for oxygen reduction reaction catalysis.
Pratik Sarkar, Maya Khatun, Anakuthil Anoop

Phys Chem Chem Phys· November 2025

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Phenothiazine-based TADF emitters with dual conformations for single-molecule white OLEDs.
Pavithra V Prabhu, Vibhu Darshan, Indira S Divya, Moumita Banerjee, Sunil Varughese, Anakuthil Anoop

Chem Sci· November 2025

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Computational Exploration of Small Hydrocarbon Networks: A Stochastic Generation and DFT Refinement Framework.
Sandip Giri, Sayon Satpati, Tarun Roy, Subhas Ghosal, Anakuthil Anoop

J Comput Chem· September 2025

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Computational Investigation of Cytochrome P450-Catalyzed Oxetane Formation in Taxol Biosynthesis.
Surajit Nandi, Rohan Sharma, Subhajit Mandal, Pankaz K Sharma, Parayil Kumaran Ajikumar, Anakuthil Anoop

Biochemistry· August 2025

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