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Pradeep Kumar
Pradeep Kumar
Verified email at mnit.ac.in
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Year
Ammonia catalyzed formation of sulfuric acid in troposphere: the curious case of a base promoting acid rain
B Bandyopadhyay, P Kumar, P Biswas
The Journal of Physical Chemistry A 121 (16), 3101-3108, 2017
712017
Theoretical studies of host–guest interaction in gas hydrates
P Kumar, N Sathyamurthy
The Journal of Physical Chemistry A 115 (50), 14276-14281, 2011
662011
Effect of Ammonia and Formic Acid on the OH + HCl Reaction in the Troposphere: Competition between Single and Double Hydrogen Atom Transfer Pathways
S Mallick, S Sarkar, B Bandyopadhyay, P Kumar
The Journal of Physical Chemistry A 122 (1), 350-363, 2018
562018
Isomerization of methoxy radical in the troposphere: competition between acidic, neutral and basic catalysts
S Sarkar, S Mallick, P Kumar, B Bandyopadhyay
Physical Chemistry Chemical Physics 19 (40), 27848-27858, 2017
462017
Ammonia as an efficient catalyst for decomposition of carbonic acid: a quantum chemical investigation
B Bandyopadhyay, P Biswas, P Kumar
Physical Chemistry Chemical Physics 18 (23), 15995-16004, 2016
382016
A comparison of DLPNO-CCSD (T) and CCSD (T) method for the determination of the energetics of hydrogen atom transfer reactions
S Mallick, B Roy, P Kumar
Computational and Theoretical Chemistry 1187, 112934, 2020
362020
Isomerization of Methoxy Radical Revisited: Impact of Water Dimer
P Kumar, P Biswas, B Bandyopadhyay
Physical Chemistry Chemical Physics 18 (40), 27728-27732, 2016
342016
Density functional theoretic studies of host–guest interaction in gas hydrates
P Kumar, BK Mishra, N Sathyamurthy
Computational and Theoretical Chemistry 1029, 26-32, 2014
312014
Impact of Post-CCSD(T) Corrections on Reaction Energetics and Rate Constants of the OH + HCl Reaction
S Mallick, P Kumar
The Journal of Physical Chemistry A 122 (36), 7151-7159, 2018
282018
Effect of ammonia-water complex on decomposition of carbonic acid in troposphere: A quantum chemical investigation
S Mallick, S Sarkar, B Bandyopadhyay, P Kumar
Computational and Theoretical Chemistry 1132, 50-58, 2018
272018
Revisiting the reaction energetics of the CH 3 O˙+ O 2 (3 Σ−) reaction: the crucial role of post-CCSD (T) corrections
S Mallick, A Kumar, P Kumar
Physical Chemistry Chemical Physics 21 (12), 6559-6565, 2019
232019
Effect of ammonia and formic acid on the CH 3 O˙+ O 2 reaction: a quantum chemical investigation
A Kumar, S Mallick, BK Mishra, P Kumar
Physical Chemistry Chemical Physics 22 (4), 2405-2413, 2020
202020
Influence of water on the CH 3 O+ O 2→ CH 2 O+ HO 2 reaction
S Mallick, A Kumar, BK Mishra, P Kumar
Physical Chemistry Chemical Physics 21 (28), 15734-15741, 2019
202019
Ammonolysis of ketene as a potential source of acetamide in the troposphere: a quantum chemical investigation
S Sarkar, S Mallick, P Kumar, B Bandyopadhyay
Physical Chemistry Chemical Physics 20 (19), 13437-13447, 2018
202018
Interaction of rare gas dimers in the confines of a carbon nanotube
P Kumar, CN Ramachandran, BK Mishra, N Sathyamurthy
Chemical Physics Letters 618, 42-45, 2015
192015
An ab initio quantum chemical investigation of the structure and stability of ozone-water complexes
P Kumar, N Sathyamurthy
Chemical Physics 415, 214-221, 2013
182013
OH + HCl Reaction at the Surface of a Water Droplet: An Ab Initio Molecular Dynamical Study
S Mallick, P Kumar
The Journal of Physical Chemistry B 124 (12), 2465-2472, 2020
172020
Potential energy curves for neutral and multiply charged carbon monoxide
P Kumar, N Sathyamurthy
Pramana 74, 49-55, 2010
172010
Effect of water on the oxidation of CO by a Criegee intermediate
A Kumar, S Mallick, P Kumar
Physical Chemistry Chemical Physics 22 (37), 21257-21266, 2020
122020
Kinetic instability of sulfurous acid in the presence of ammonia and formic acid
S Mallick, A Kumar, P Kumar
Physical Chemistry Chemical Physics 22 (33), 18646-18654, 2020
112020
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