Publications by authors named "Surajit Nandi"

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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

Biochemistry· August 2025

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MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methods.
Surajit Nandi, Tejs Vegge, Arghya Bhowmik

Sci Data· November 2023

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Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT.
Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, Tejs Vegge, Arghya Bhowmik

J Chem Inf Model· October 2022

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Alteration of Electronic Band Structure a Metal-Semiconductor Interfacial Effect Enables High Faradaic Efficiency for Electrochemical Nitrogen Fixation.
Ashmita Biswas, Surajit Nandi, Navpreet Kamboj, Jaysree Pan, Arghya Bhowmik

ACS Nano· December 2021

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Chemical bonding in cuprous complexes with simple nitriles: octet rule and resonance concepts quantitative charge-redistribution analysis.
Simone Potenti, Lorenzo Paoloni, Surajit Nandi, Marco Fusè, Vincenzo Barone

Phys Chem Chem Phys· September 2020

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Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality.
Marta Martino, Andrea Salvadori, Federico Lazzari, Lorenzo Paoloni, Surajit Nandi

J Comput Chem· May 2020

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Prebiotic Chemistry of HCN Tetramerization by Automated Reaction Search.
Surajit Nandi, Debankur Bhattacharyya, Anakuthil Anoop

Chemistry· April 2018

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ESIPT-induced fluorescent o-hydroxycinnamate: a self-monitoring phototrigger for prompt image-guided uncaging of alcohols.
Amrita Paul, Rakesh Mengji, Olive Abraham Chandy, Surajit Nandi, Manoranjan Bera

Org Biomol Chem· October 2017

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Viability of aromatic all-pnictogen anions.
Subhajit Mandal, Surajit Nandi, Anakuthil Anoop, Pratim Kumar Chattaraj

Phys Chem Chem Phys· April 2016

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A p-Hydroxyphenacyl-Benzothiazole-Chlorambucil Conjugate as a Real-Time-Monitoring Drug-Delivery System Assisted by Excited-State Intramolecular Proton Transfer.
Shrabani Barman, Sourav K Mukhopadhyay, Sandipan Biswas, Surajit Nandi, Moumita Gangopadhyay

Angew Chem Int Ed Engl· March 2016

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