| Synthesis and electronic properties of A 3 B-thienyl porphyrins: experimental and computational investigations PR Kumar, NJ Britto, A Kathiravan, A Neels, M Jaccob, EM Mothi New Journal of Chemistry 43 (3), 1569-1580, 2019 | 23 | 2019 |
| Substituent Effect on the Photophysics and ESIPT Mechanism of N,N′-Bis(salicylidene)-p-phenylenediamine: A DFT/TD-DFT Analysis N Johnee Britto, M Panneerselvam, M Deepan Kumar, A Kathiravan, ... Journal of Chemical Information and Modeling 61 (4), 1825-1839, 2021 | 21 | 2021 |
| Pathways of the Extremely Reactive Iron (IV)‐oxido complexes with Tetradentate Bispidine Ligands M Abu‐Odeh, K Bleher, N Johnee Britto, P Comba, M Gast, M Jaccob, ... Chemistry–A European Journal 27 (44), 11377-11390, 2021 | 14 | 2021 |
| A Structural and Functional Model for the Tris‐Histidine Motif in Cysteine Dioxygenase K Anandababu, R Ramasubramanian, H Wadepohl, P Comba, ... Chemistry–A European Journal 25 (40), 9540-9547, 2019 | 14 | 2019 |
| Unravelling the reaction mechanism of formic acid dehydrogenation by Cp* Rh (III) and Cp* Co (III) catalysts with proton-responsive 4, 4′-and 6, 6′-Dihydroxy-2, 2 … N Johnee Britto, AS Rajpurohit, K Jagan, M Jaccob The Journal of Physical Chemistry C 123 (41), 25061-25073, 2019 | 12 | 2019 |
| Deciphering the mechanistic details of manganese-catalyzed formic acid dehydrogenation: insights from DFT calculations N Johnee Britto, M Jaccob Inorganic Chemistry 60 (15), 11038-11047, 2021 | 9 | 2021 |
| DFT Probe into the Mechanism of Formic Acid Dehydrogenation Catalyzed by Cp* Co, Cp* Rh, and Cp* Ir Catalysts with 4, 4′-Amino-/Alkylamino-Functionalized 2, 2′-Bipyridine Ligands N Johnee Britto, M Jaccob The Journal of Physical Chemistry A 125 (43), 9478-9488, 2021 | 7 | 2021 |
| Mechanism of formic acid dehydrogenation catalysed by Cp* Co (III) and Cp* Rh (III) complexes with N, N’-bidentate imidazoline-based ligands: a DFT exploration NJ Britto, M Jaccob Molecular Catalysis 535, 112860, 2023 | 4 | 2023 |
| DFT insights into the mechanism of O2 activation catalyzed by a structural and functional model of cysteine dioxygenase with tris (2-pyridyl) methane-based ligand architecture NJ Britto, M Jaccob, P Comba, K Anandababu, R Mayilmurugan Journal of Inorganic Biochemistry 238, 112066, 2023 | 3 | 2023 |
| Experimental and DFT investigation on the role of aromaticity on the stability of hydrogen bonded complexes of cyclohexanone with amines and hydroxyl compounds AJA Baskar, LA Joshva, D Dhanapal, NJ Britto, M Jaccob, C Mansiya, ... Journal of Molecular Liquids 366, 120221, 2022 | 3 | 2022 |
| Unravelling the Effect of Acid‐Driven Electron Transfer in High‐Valent FeIV=O/MnIV=O Species and Its Implications for Reactivity NJ Britto, A Sen, G Rajaraman Chemistry–An Asian Journal 18 (23), e202300773, 2023 | 2 | 2023 |
| Unveiling the mechanistic landscape of formic acid dehydrogenation catalyzed by Cp∗ M (III) catalysts (M= Co or Rh or Ir) with bis (pyrazol-1-yl) methane ligand architecture: A … NJ Britto, M Jaccob International Journal of Hydrogen Energy 47 (51), 21736-21744, 2022 | 2 | 2022 |
| Delineating the effect of substituent and π-bridge flip on the photophysical properties of pyrene derivatives: answers from DFT/TD-DFT calculations M Panneerselvam, A Kathiravan, N Johnee Britto, SM Krishnan, ... Journal of Materials Science 57 (23), 10724-10735, 2022 | 1 | 2022 |
| Activation of small molecules by transition-metal complexes M Jaccob, M Sankaralingam, NJ Britto | 1 | 2019 |
| Origin of Unprecedented Formation and Reactivity of FeIV═O Species via Oxygen Activation: Role of Noncovalent Interactions and Magnetic Coupling A Sen, NJ Britto, D Kass, K Ray, G Rajaraman Inorganic Chemistry, 2024 | | 2024 |
| Computational Design Of Earth Abundant Transition Metal Based Catalysts For Formic Acid Dehydrogenation NJ BRITTO Chennai, 0 | | |
