Nivedita Acharjee

A Molecular Electron Density Theory Study of the Chemoselectivity, Regioselectivity, and Diastereofacial Selectivity in the Synthesis of an Anticancer Spiroisoxazoline derived from α-Santonin

Luís R. Domingo, Mar Ríos‐Gutiérrez, Nivedita Acharjee · Molecules · 2019 · 57 citations · Full text

Structural, Spectral, Molecular Docking, and Molecular Dynamics Simulations of Phenylthiophene-2-Carboxylate Compounds as Potential Anticancer Agents

P. Vennila, Jamelah S. Al‐Otaibi, G. Venkatesh et al. · Polycyclic aromatic compounds · 2023 · 46 citations

Engineering, Molecule-based Material, Computational Chemistry +19

Unravelling the strain-promoted [3+2] cycloaddition reactions of phenyl azide with cycloalkynes from the molecular electron density theory perspective

Luís R. Domingo, Nivedita Acharjee · New Journal of Chemistry · 2020 · 43 citations

Reaction Rate, Polar Reaction, Engineering +13

Theoretical study of photovoltaic performances of Ru, Rh and Ir half sandwich complexes containing N,N chelating ligands in Dye-Sensitized Solar Cells (DSSCs). DFT and TD-DFT investigation

Said Kerraj, Mohammed Salah, Samir Chtita et al. · Computational and Theoretical Chemistry · 2022 · 43 citations

Materials Science, Inorganic Chemistry, Theoretical Study +9

Unveiling the high regioselectivity and stereoselectivity within the synthesis of spirooxindolenitropyrrolidine: A molecular electron density theory perspective

Nivedita Acharjee, Haydar Mohammad‐Salim, Mrinmoy Chakraborty et al. · Journal of Physical Organic Chemistry · 2021 · 37 citations

Elf Topological Characterisation, Electron Density, Elf Study +12