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Chemistry (Weinheim an Der Bergstrasse, Germany)|May 31, 2017
A DFT Study on the Stabilization of the B≡B Triple Bond in a Metallaborocycle: Contrasting Electronic Structures of Boron and Carbon AnaloguesSagar Ghorai, Eluvathingal D JemmisChemical Science|September 12, 2022
From a Möbius-aromatic interlocked Mn<sub>2</sub>B<sub>10</sub>H<sub>10</sub> wheel to the metal-doped boranaphthalenes M<sub>2</sub>@B<sub>10</sub>H<sub>8</sub> and M<sub>2</sub>B<sub>5</sub> 2D-sheets (M = Mn and Fe): a molecules to materials continuum using DFT studiesSagar Ghorai, Eluvathingal D JemmisChemistry (Weinheim an Der Bergstrasse, Germany)|October 11, 2018
B-B Coupling and B-B Catenation: Computational Study of the Structure and Reactions of Metal-Bis(borylene) ComplexesSagar Ghorai, Eluvathingal D JemmisDalton Transactions (Cambridge, England : 2003)|April 3, 2020
Structures and bonding in [L]M(μ-CCR)<sub>2</sub>M[L] and [L]M(μ-RC<sub>4</sub>R)M[L]: requirements for C-C couplingSagar Ghorai, Eluvathingal D JemmisThe Journal of Chemical Physics|January 29, 2025
Molecular dynamics simulations of functionalized hBN nanopores in water: Ab initio force field and implications for water desalinationSagar Ghorai, Pradeep Dhondi, Ananth Govind RajanJournal of Physics. Condensed Matter : an Institute of Physics Journal|January 20, 2021
Evolution of Griffiths Phase and Critical Behaviour of La<sub>1-x</sub>Pb<sub>x</sub>MnO<sub>3±y</sub>Solid SolutionsSagar Ghorai, Sergey Ivanov, Ridha Skini, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|February 10, 2021
Evolution of Griffiths phase and critical behaviour of La<sub>1-x</sub> Pb <sub>x</sub> MnO<sub>3±y</sub> solid solutionsSagar Ghorai, Sergey A Ivanov, Ridha Skini, et al.The Journal of Physical Chemistry. A|August 17, 2021
Comparison of RNC Coupling and CO Coupling Mediated by Cr-Cr Quintuple Bond and B-B Multiple Bonds: Main Group MetallomimeticsSagar Ghorai, Raghavendra Meena, Anju P Joseph, et al.Scientific Reports|November 11, 2020
Field induced crossover in critical behaviour and direct measurement of the magnetocaloric properties of La<sub>0.4</sub>Pr<sub>0.3</sub>Ca<sub>0.1</sub>Sr<sub>0.2</sub>MnO<sub>3</sub>Sagar Ghorai, Ridha Skini, Daniel Hedlund, et al.Journal of Chemical Theory and Computation|March 16, 2026
Toward Reaction Vessel Mimicry: Machine Learning-Assisted Automated Exploration of Alkene Polymerization and Its TransferabilitySagar Ghorai, Ruben Staub, Yu Harabuchi, et al.Pageof 2