| Scavenging mechanism of curcumin toward the hydroxyl radical: a theoretical study of reactions producing ferulic acid and vanillin N Agnihotri, PC Mishra The Journal of Physical Chemistry A 115 (49), 14221-14232, 2011 | 67 | 2011 |
| Computational studies of charge transfer in organic solar photovoltaic cells: A review N Agnihotri Journal of Photochemistry and Photobiology C: Photochemistry Reviews 18, 18-31, 2014 | 47 | 2014 |
| Mechanism of Scavenging Action of N-Acetylcysteine for the OH Radical: A Quantum Computational Study N Agnihotri, PC Mishra The journal of physical chemistry B 113 (35), 12096-12104, 2009 | 40 | 2009 |
| Mutagenic product formation due to reaction of guanine radical cation with nitrogen dioxide N Agnihotri, PC Mishra The Journal of Physical Chemistry B 113 (10), 3129-3138, 2009 | 28 | 2009 |
| Reactivities of radicals of adenine and guanine towards reactive oxygen species and reactive nitrogen oxide species: OH and NO2 N Agnihotri, PC Mishra Chemical Physics Letters 503 (4-6), 305-309, 2011 | 26 | 2011 |
| Formation of 8-nitroguanine due to reaction between guanyl radical and nitrogen dioxide: catalytic role of hydration N Agnihotri, PC Mishra The Journal of Physical Chemistry B 114 (21), 7391-7404, 2010 | 18 | 2010 |
| Quantum theoretical study of cleavage of the glycosidic bond of 2′-deoxyadenosine: base excision-repair mechanism of DNA by MutY S Tiwari, N Agnihotri, PC Mishra The Journal of Physical Chemistry B 115 (12), 3200-3207, 2011 | 17 | 2011 |
| Nanonetwork of coordination polymer AHMT-Ag for the effective and broad spectrum detection of 6-mercaptopurine in urine and blood serum Vinita, M Tiwari, N Agnihotri, M Singh, AK Singh, R Prakash ACS omega 4 (16), 16733-16742, 2019 | 10 | 2019 |
| Time dependent DFT investigation of the optical properties of artificial light harvesting special pairs N Agnihotri, RP Steer Physical Chemistry Chemical Physics 18 (22), 15337-15351, 2016 | 10 | 2016 |
| Computational modelling of panchromatic porphyrins with strong NIR absorptions for solar energy capture N Agnihotri Chemical Physics Letters 665, 40-46, 2016 | 8 | 2016 |
| DFT and TD-DFT calculations of axially substituted tin porphyrins and an ethynyl-linked tin porphyrin dimer N Agnihotri, RP Steer Journal of Porphyrins and Phthalocyanines 19 (04), 610-621, 2015 | 8 | 2015 |
| Hybridization-displaced charges for amino-acids: a new model using two point charges per atom along with bond-center charges N Agnihotri, PC Mishra Journal of molecular modeling 17, 1435-1444, 2011 | 7 | 2011 |
| TD-DFT calculations of the excited states of metalloporphyrins relevant to organic solar photovoltaic cells N Agnihotri, RP Steer Journal of Porphyrins and Phthalocyanines 18 (06), 475-492, 2014 | 5 | 2014 |
| Computational studies on the nitrogen-doped graphene quantum dots as potential sensor for hazardous gases S Kumar, M Bhuiya, DK Palai, N Agnihotri Journal of Electronic Materials 53 (7), 3548-3559, 2024 | 4 | 2024 |
| Mechanism of ammonium adsorption onto the surface of heteroatom doped graphene quantum dots S Kumar, N Agnihotri Materials Today Communications 41, 110366, 2024 | 2 | 2024 |
| Nitrogen-doped graphene quantum dots for efficient detection of toxic gas M Bhuiya, S Kumar, A Kumar, N Agnihotri Journal of Electronic Materials 53 (7), 3569-3581, 2024 | 2 | 2024 |
| Ceramic-based upconversion phosphors NK Giri, N Agnihotri, R Prakash Upconversion Nanophosphors, 181-202, 2022 | 2 | 2022 |
| Strong, near-infrared absorbing porphyrins: a DFT study N Agnihotri Canadian Journal of Chemistry 97 (6), 451-456, 2019 | 2 | 2019 |
| Tuning optical excitations of graphene quantum dots through selective nitrogen doping S Kumar, N Agnihotri Sustainable Chemistry One World 3, 100020, 2024 | 1 | 2024 |
| Adsorption and sensing of SF6 decomposition gases by ruthenium-decorated silicon-doped graphene quantum dots S Kumar, N Agnihotri Diamond and Related Materials 152, 111975, 2025 | | 2025 |
Prof. P.C. MishraBanaras Hindu University, University of Hannover, DKFZ HeidelbergVerified email at bhu.ac.in
