Pradeep Kumar

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Subhasish MallickPostdoc fellowVerified email at mail.huji.ac.il
AMIT KUMARResearch scholarVerified email at mnit.ac.in
Biman BandyopadhyayMNIT JaipurVerified email at mnit.ac.in
PHILIPS KUMAR RAIResearch scholar at MNIT JaipurVerified email at mnit.ac.in
SAPTARSHI SARKARResearch scholar, MNIT JaipurVerified email at mnit.ac.in
Brijesh Kumar MishraKrea UniversityVerified email at krea.edu.in
Professor Asha JainDepartment of Chemistry, University of Rajasthan, JaipurVerified email at uniraj.ac.in
Dr. Shobhana SharmaAssistant Professor SS Jain Subodh PG College (Affiliated to the University of Rajasthan, Jaipur)Verified email at subodhpgcollege.com
VISHVA JEET ANANDResearch ScholarVerified email at mnit.ac.in
Ramachandran CNAssociate Professor, Department of Chemistry, Indian Institute of Technology RoorkeeVerified email at cy.iitr.ac.in
Eli PollakProfessor of Chemical Physics, Weizmann Institute of ScienceVerified email at weizmann.ac.il
Arghadip KonerUniversity of California, San DiegoVerified email at ucsd.edu
Chandan KumarThe Institute of Mathematical Sciences, Chennai, IndiaVerified email at imsc.res.in
Aditya BarmanProject Assistant, Department of Chemistry, Malaviya National Institute of Technology JaipurVerified email at mnit.ac.in
Priyanka YadavResearch ScholarVerified email at mnit.ac.in

Pradeep Kumar

MNIT Jaipur

Verified email at mnit.ac.in

Chemical Kinetics Dynamics and Structure


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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	73	2017
Theoretical studies of host–guest interaction in gas hydrates P Kumar, N Sathyamurthy The Journal of Physical Chemistry A 115 (50), 14276-14281, 2011	73	2011
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	58	2018
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	49	2020
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	47	2017
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	39	2016
Isomerization of Methoxy Radical Revisited: Impact of Water Dimer P Kumar, P Biswas, B Bandyopadhyay Physical Chemistry Chemical Physics 18 (40), 27728-27732, 2016	36	2016
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	31	2014
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	30	2018
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	27	2018
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	25	2019
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	22	2018
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	21	2020
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	20	2019
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	19	2020
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	18	2015
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	18	2013
Potential energy curves for neutral and multiply charged carbon monoxide P Kumar, N Sathyamurthy Pramana 74, 49-55, 2010	18	2010
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	17	2020
Synergy Between DFT Calculations and Experimental Studies on the Optimized Structures and the Antibacterial Potential of Some Novel Tetra‐and Penta Coordinated Organic … S Sharma, P Kumar, A Jain, S Saxena Applied Organometallic Chemistry 32 (6), e4321, 2018	17	2018

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