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Neha Agnihotri
Neha Agnihotri
Assistant Professor, NIT Jamshedpur
Verified email at nitjsr.ac.in
Title
Cited by
Cited by
Year
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
632011
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
482014
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
372009
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
292011
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
282009
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
182010
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
172011
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
82015
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
72019
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
72016
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
72011
Computational modelling of panchromatic porphyrins with strong NIR absorptions for solar energy capture
N Agnihotri
Chemical Physics Letters 665, 40-46, 2016
52016
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
52014
Strong, near-infrared absorbing porphyrins: a DFT study
N Agnihotri
Canadian Journal of Chemistry 97 (6), 451-456, 2019
22019
Ceramic-based upconversion phosphors
NK Giri, N Agnihotri, R Prakash
Upconversion Nanophosphors, 181-202, 2022
2022
Formation of DNA Lesions, its Prevention and Repair
NR Jena, N Agnihotri, PC Mishra
Application of Computational Techniques in Pharmacy and Medicine, 59-94, 2014
2014
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