| A molecular electron density theory study of the chemoselectivity, regioselectivity, and diastereofacial selectivity in the synthesis of an anticancer spiroisoxazoline derived … LR Domingo, M Ríos-Gutiérrez, N Acharjee Molecules 24 (5), 832, 2019 | 45 | 2019 |
| Unravelling the strain-promoted [3+ 2] cycloaddition reactions of phenyl azide with cycloalkynes from the molecular electron density theory perspective LR Domingo, N Acharjee New Journal of Chemistry 44 (32), 13633-13643, 2020 | 34 | 2020 |
| [3+2] Cycloaddition Reaction of C‐Phenyl‐N‐methyl Nitrone to Acyclic‐Olefin‐Bearing Electron‐Donating Substituent: A Molecular Electron Density Theory Study LR Domingo, N Acharjee ChemistrySelect 3 (28), 8373-8380, 2018 | 29 | 2018 |
| Unveiling the high regioselectivity and stereoselectivity within the synthesis of spirooxindolenitropyrrolidine: A molecular electron density theory perspective N Acharjee, HA Mohammad‐Salim, M Chakraborty, MP Rao, M Ganesh Journal of Physical Organic Chemistry 34 (6), e4189, 2021 | 25 | 2021 |
| Molecular electron density theory: a new theoretical outlook on organic chemistry LR Domingo, N Acharjee Frontiers in Computational Chemistry, 174-227, 2020 | 24 | 2020 |
| DFT interpretation of 1, 3-dipolar cycloaddition reaction of C, N-diphenyl nitrone to methyl crotonate in terms of reactivity indices, interaction energy and activation parameters N Acharjee, A Banerji Computational and Theoretical Chemistry 967 (1), 50-58, 2011 | 24 | 2011 |
| Structural, spectral, molecular docking, and molecular dynamics simulations of phenylthiophene-2-carboxylate compounds as potential anticancer agents P Vennila, JS Al-Otaibi, G Venkatesh, Y Sheena Mary, V Raj, N Acharjee, ... Polycyclic Aromatic Compounds 44 (1), 238-260, 2024 | 23 | 2024 |
| 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 … S Kerraj, M Salah, S Chtita, M El Idrissi, S Belaaouad, M Mohammed, ... Computational and Theoretical Chemistry 1209, 113630, 2022 | 23 | 2022 |
| A molecular electron density theory study of the Grignard reagent‐mediated regioselective direct synthesis of 1, 5‐disubstituted‐1, 2, 3‐triazoles LR Domingo, N Acharjee Journal of Physical Organic Chemistry 33 (8), e4062, 2020 | 22 | 2020 |
| Unveiling the high reactivity of strained dibenzocyclooctyne in [3+ 2] cycloaddition reactions with diazoalkanes through the molecular electron density theory LR Domingo, N Acharjee Journal of Physical Organic Chemistry 33 (11), e4100, 2020 | 20 | 2020 |
| Sumanene as a delivery carrier for methimazole drug: DFT, AIM, SERS and solvent effects JS Al-Otaibi, YS Mary, YS Mary, A Mondal, N Acharjee, DG Churchill Computational and Theoretical Chemistry 1215, 113811, 2022 | 19 | 2022 |
| Unveiling the Chemo‐and Regioselectivity of the [3+ 2] Cycloaddition Reaction between 4‐Chlorobenzonitrile Oxide and β‐Aminocinnamonitrile with a MEDT Perspective LR Domingo, N Acharjee ChemistrySelect 6 (18), 4521-4532, 2021 | 18 | 2021 |
| A molecular electron density theory study of the Lewis acid Catalyzed [3+ 2] Cycloaddition reactions of nitrones with nucleophilic ethylenes LR Domingo, M Ríos‐Gutiérrez, N Acharjee European Journal of Organic Chemistry 2022 (3), e202101417, 2022 | 17 | 2022 |
| DFT study of 1, 3-dipolar cycloadditions of C, N-disubstituted aldonitrones to chalcones evidenced by NMR and X-ray analysis N Acharjee, A Banerji, T Prangé Monatshefte für Chemie-Chemical Monthly 141, 1213-1221, 2010 | 17 | 2010 |
| An overview of nitrile imine based [3+ 2] cycloadditions over half a decade A Deepthi, N Acharjee, SL Sruthi, CB Meenakshy Tetrahedron 116, 132812, 2022 | 16 | 2022 |
| A molecular electron density theory study to understand the interplay of theory and experiment in nitrone-enone cycloaddition N Acharjee, A Banerji Journal of Chemical Sciences 132, 1-11, 2020 | 16 | 2020 |
| Investigation of the adsorption of a DNA based purine derivative on N/B-doped coronene and coronene by means of DFT and NCI interaction analysis JS Al-Otaibi, YS Mary, YS Mary, A Mondal, N Acharjee, S Balachandar Journal of Molecular Liquids 367, 120373, 2022 | 15 | 2022 |
| Unravelling the regio-and stereoselective synthesis of bicyclic N, O-nucleoside analogues within the molecular electron density theory perspective N Acharjee Structural Chemistry 31 (6), 2147-2160, 2020 | 15 | 2020 |
| Understanding the reactivity of trimethylsilyldiazoalkanes participating in [3+ 2] cycloaddition reactions towards diethylfumarate with a molecular electron density theory … LR Domingo, N Acharjee, HA Mohammad-Salim Organics 1 (1), 3-18, 2020 | 15 | 2020 |
| A DFT‐based exploration augmented by X‐ray and NMR of the stereoselectivity in the 1, 3‐dipolar cycloaddition of 1‐pyrroline‐1‐oxide to methyl cinnamate and benzylidene … N Acharjee, TK Das, A Banerji, M Banerjee, T Prangé Journal of Physical Organic Chemistry 23 (12), 1187-1195, 2010 | 15 | 2010 |
