M
Manoj Kumar
Researcher at University of Nebraska–Lincoln
Publications - 50
Citations - 1549
Manoj Kumar is an academic researcher from University of Nebraska–Lincoln. The author has contributed to research in topics: Criegee intermediate & Corrin. The author has an hindex of 21, co-authored 50 publications receiving 1254 citations. Previous affiliations of Manoj Kumar include University of Louisville & University of Pennsylvania.
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Journal ArticleDOI
New Mechanistic Pathways for Criegee-Water Chemistry at the Air/Water Interface
Chongqin Zhu,Manoj Kumar,Jie Zhong,Lei Li,Joseph S. Francisco,Xiao Cheng Zeng,Xiao Cheng Zeng +6 more
TL;DR: This work investigated the reaction between the smallest Criegee intermediate, CH2OO, and water clusters in the gas phase, as well as at the air/water surface using ab initio quantum chemical calculations and adaptive buffered force quantum mechanics/molecular mechanics (QM/MM) dynamics simulations.
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The Cobalt–Methyl Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on Density Functional Theory and Completely Renormalized Coupled-Cluster Calculations
Pawel M. Kozlowski,Manoj Kumar,Piotr Piecuch,Wei Li,Nicholas P. Bauman,Jared A. Hansen,Piotr Lodowski,Maria Jaworska +7 more
TL;DR: Calculations suggest that CASSCF and CASPT2 may have difficulties with providing a reliable description of the Co-CMe bond breaking in MeCbl, since using adequate active spaces is prohibitively expensive.
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Near-Barrierless Ammonium Bisulfate Formation via a Loop-Structure Promoted Proton-Transfer Mechanism on the Surface of Water
Lei Li,Manoj Kumar,Chongqin Zhu,Jie Zhong,Joseph S. Francisco,Xiao Cheng Zeng,Xiao Cheng Zeng +6 more
TL;DR: This reaction suggests a new mechanism for the formation of ammonium sulfate in the atmosphere, especially when the concentration of NH3 is high (e.g., ∼10 μg m(-3)) in the air, as well as on the surface of a water droplets with adsorbed NH3 and SO3 molecules.
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Insight into Chemistry on Cloud/Aerosol Water Surfaces
TL;DR: The recent findings of new reaction pathways on the water surface are summarized and improved understanding of atmospheric processes on the aerosol water surface is enabled.
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Role of Double Hydrogen Atom Transfer Reactions in Atmospheric Chemistry.
TL;DR: Rate calculations suggest that acid catalysis play a key role in the formation of sulfuric acid in the Earth's stratosphere, Venusian atmosphere, and on heterogeneous surfaces.