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Ghorai, S and Jemmis, ED (2022) From a Möbius-aromatic interlocked Mn2B10H10 wheel to the metal-doped boranaphthalenes M2@B10H8 and M2B5 2D-sheets (M = Mn and Fe): a molecules to materials continuum using DFT studies. In: Chemical Science, 13 . pp. 8968-8978.
Perumalla, DS and Ghorai, S and Pal, T and Hnyk, D and Holub, J and Jemmis, ED (2022) Rearrangement of dicarboranyl methyl cation to icosahedral C3B9H12+: An ab initio dynamics view. In: Journal of Computational Chemistry .
Jemmis, ED and Ghorai, S (2022) Orbital Engineering in Chemistry. In: Israel Journal of Chemistry, 62 (1-2).
Ghorai, S and Meena, R and Joseph, AP and Jemmis, ED (2021) Comparison of RNC Coupling and CO Coupling Mediated by Cr-Cr Quintuple Bond and B-B Multiple Bonds: Main Group Metallomimetics. In: Journal of Physical Chemistry A .
Ghorai, S and Jemmis, ED (2020) DFT Study of C-C and C-N Coupling on a Quintuple-Bonded Cr2 Template: MECP (Minimum Energy Crossing Point) Barriers Control Product Distribution. In: Organometallics, 39 (10). pp. 1700-1709.
Ghorai, S and Jemmis, ED (2020) Structures and bonding in LM(μ-CCR)2ML and LM(μ-RC4R)ML: Requirements for C-C coupling. In: Dalton Transactions, 49 (16). pp. 5157-5166.
