Следене
Manoj Kumar
Manoj Kumar
Computational Science Research Manager, Mars
Потвърден имейл адрес: effem.com - Начална страница
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Позовавания
Позовавания
Година
The cobalt–methyl bond dissociation in methylcobalamin: new benchmark analysis based on density functional theory and completely renormalized coupled-cluster calculations
PM Kozlowski, M Kumar, P Piecuch, W Li, NP Bauman, JA Hansen, ...
Journal of Chemical Theory and Computation 8 (6), 1870-1894, 2012
1072012
Insight into chemistry on cloud/aerosol water surfaces
J Zhong, M Kumar, JS Francisco, XC Zeng
Accounts of chemical research 51 (5), 1229-1237, 2018
1022018
Near-barrierless ammonium bisulfate formation via a loop-structure promoted proton-transfer mechanism on the surface of water
L Li, M Kumar, C Zhu, J Zhong, JS Francisco, XC Zeng
Journal of the American chemical society 138 (6), 1816-1819, 2016
1022016
New mechanistic pathways for Criegee–water chemistry at the air/water interface
C Zhu, M Kumar, J Zhong, L Li, JS Francisco, XC Zeng
Journal of the American Chemical Society 138 (35), 11164-11169, 2016
952016
Determinants of activity at human Toll-like receptors 7 and 8: quantitative structure–activity relationship (QSAR) of diverse heterocyclic scaffolds
E Yoo, DB Salunke, D Sil, X Guo, ACD Salyer, AR Hermanson, M Kumar, ...
Journal of medicinal chemistry 57 (19), 7955-7970, 2014
812014
Role of double hydrogen atom transfer reactions in atmospheric chemistry
M Kumar, A Sinha, JS Francisco
Accounts of Chemical Research 49 (5), 877-883, 2016
782016
Surprising stability of larger Criegee intermediates on aqueous interfaces
J Zhong, M Kumar, CQ Zhu, JS Francisco, XC Zeng
Angewandte Chemie International Edition 56 (27), 7740-7744, 2017
632017
Atmospheric spectroscopy and photochemistry at environmental water interfaces
J Zhong, M Kumar, JM Anglada, MTC Martins-Costa, MF Ruiz-Lòpez, ...
Annual review of physical chemistry 70 (1), 45-69, 2019
622019
Barrierless tautomerization of Criegee intermediates via acid catalysis
M Kumar, DH Busch, B Subramaniam, WH Thompson
Physical Chemistry Chemical Physics 16 (42), 22968-22973, 2014
592014
Nitric acid–amine chemistry in the gas phase and at the air–water interface
M Kumar, H Li, X Zhang, XC Zeng, JS Francisco
Journal of the American Chemical Society 140 (20), 6456-6466, 2018
562018
Reaction of Criegee intermediate with nitric acid at the air–water interface
M Kumar, J Zhong, XC Zeng, JS Francisco
Journal of the American Chemical Society 140 (14), 4913-4921, 2018
562018
Ligand effects on the regioselectivity of rhodium-catalyzed hydroformylation: Density functional calculations illuminate the role of long-range noncovalent interactions
M Kumar, RV Chaudhari, B Subramaniam, TA Jackson
Organometallics 33 (16), 4183-4191, 2014
562014
A gas-to-particle conversion mechanism helps to explain atmospheric particle formation through clustering of iodine oxides
JC Gómez Martín, TR Lewis, MA Blitz, JMC Plane, M Kumar, JS Francisco, ...
Nature communications 11 (1), 4521, 2020
552020
Photodissociation of Co− C bond in methyl-and ethylcobalamin: an insight from TD-DFT calculations
P Lodowski, M Jaworska, T Andruniów, M Kumar, PM Kozlowski
The Journal of Physical Chemistry B 113 (19), 6898-6909, 2009
532009
Direct observation of vinyl hydroperoxide
F Liu, Y Fang, M Kumar, WH Thompson, MI Lester
Physical Chemistry Chemical Physics 17 (32), 20490-20494, 2015
512015
Role of tunable acid catalysis in decomposition of α-hydroxyalkyl hydroperoxides and mechanistic implications for tropospheric chemistry
M Kumar, DH Busch, B Subramaniam, WH Thompson
The Journal of Physical Chemistry A 118 (41), 9701-9711, 2014
512014
Criegee intermediate-hydrogen sulfide chemistry at the air/water interface
M Kumar, J Zhong, JS Francisco, XC Zeng
Chemical science 8 (8), 5385-5391, 2017
432017
Organic acids tunably catalyze carbonic acid decomposition
M Kumar, DH Busch, B Subramaniam, WH Thompson
The Journal of Physical Chemistry A 118 (27), 5020-5028, 2014
422014
Elemental sulfur aerosol-forming mechanism
M Kumar, JS Francisco
Proceedings of the National Academy of Sciences 114 (5), 864-869, 2017
402017
Mechanistic Insight into the Reaction of Organic Acids with SO3 at the Air–Water Interface
J Zhong, H Li, M Kumar, J Liu, L Liu, X Zhang, XC Zeng, JS Francisco
Angewandte Chemie 131 (25), 8439-8443, 2019
382019
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