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Journal of Computational Chemistry|September 27, 2025
Computational Exploration of Small Hydrocarbon Networks: A Stochastic Generation and DFT Refinement FrameworkSandip Giri, Sayon Satpati, Tarun Roy, et al.The Journal of Physical Chemistry. A|February 16, 2024
Energetic and Spectroscopic Properties of Astrophysically Relevant MgC<sub>4</sub>H Radicals Using High-Level Ab Initio CalculationsTarun Roy, Sayon Satpati, Aland Sinjari, et al.Journal of Computational Chemistry|December 10, 2025
Exploring the Chemical Space of Noncovalent Molecular Clusters Using Automated Cluster Building Algorithm and Neural Network PotentialSandip Giri, Anakuthil AnoopChemistry, an Asian Journal|November 28, 2024
Computational Investigation of Meso-Substituted, Heavy Atom-Free BODIPY Derivatives as Photosensitizers: Insights From TDDFT and Dynamics StudiesMoumita Banerjee, Sandip Giri, Anakuthil AnoopACS Omega|September 5, 2022
New Carbenes and Cyclic Allenes Energetically Comparable to Experimentally Known 1-AzulenylcarbeneTarun Roy, Venkatesan S Thimmakondu, Subhas GhosalThe Journal of Physical Chemistry. A|May 18, 2021
Six Low-Lying Isomers of C<sub>11</sub>H<sub>8</sub> Are Unidentified in the Laboratory-A Theoretical StudyTarun Roy, Subhas Ghosal, Venkatesan S ThimmakonduLangmuir : the ACS Journal of Surfaces and Colloids|January 29, 2025
Exploring the Conformational Space of a Sulfonyl-Based Ionic Liquid on Platinum-Based Mono and Bimetallic SurfacesArka Prava Sarkar, Rahul Sahu, Sandip Giri, et al.Physical Chemistry Chemical Physics : PCCP|October 22, 2015
Effect of π-π interaction in Bergman cyclisationSaibal Jana, Anakuthil AnoopThe 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 AnoopThe Journal of Organic Chemistry|July 28, 2016
Does the Mechanism of the Garratt-Braverman Cyclization Differ with Substrates? A Computational Study on Bispropargyl Sulfones, Sulfides, Ethers, Amines, and MethanesSaibal Jana, Anakuthil AnoopPageof 10