Results 31 to 40 of about 325,202 (292)
Frontiers in Chemistry, 2023 HCl-assisted propane dehydrogenation (PDH) is an attractive route for propene production with good selectivity. In this study, the doping of CeO2 with different transition metals, including V, Mn, Fe, Co, Ni, Pd, Pt, and Cu, in the presence of HCl was ...
Faheem Jan +7 more
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Hydrogen abstraction reactions in formic and thioformic acid isomers by hydrogen and deuterium atoms. Insights on isomerism and deuteration [PDF]
A&A 663, A41 (2022), 2022 The isomerism of molecules in the interstellar medium and the mechanisms behind it are essential questions in the chemistry of organic molecules in space. In particular, for the simple formic and thioformic acids, the low temperatures found in molecular clouds indicate that cis-trans isomerization in the gas-phase must be impeded.
arxiv +1 more source
Beilstein Journal of Organic Chemistry, 2007 Experiments conducted with deuterated compounds demonstrated that during the reduction of S-alkylxanthates with triethylborane, the hydrogen atom transferred has several competing origins.
Florent Allais +2 more
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Energies, 2023 Cyclic ethers (CEs) can be promising future biofuel candidates. Most CEs possess physico-chemical and combustion indicators comparable to conventional fuels, making them suitable for internal combustion engines. This work computationally investigates the
Tam V.-T. Mai +7 more
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Selective deuteration as a tool for resolving autoxidation mechanisms in α-pinene ozonolysis [PDF]
Atmospheric Chemistry and Physics, 2023 Highly oxygenated organic molecules (HOMs) from α-pinene ozonolysis have been shown to be significant contributors to secondary organic aerosol (SOA), yet our mechanistic understanding of how the peroxy-radical-driven autoxidation leads to their ...
M. Meder +14 more
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Propulsion and Power Research, 2023 The chemical kinetics of hydrogen atom (H-atom) abstraction reactions from norbornadiene (NBD) by five radicals (H, O(3P), OH, CH3, and HO2), and the unimolecular reactions of three NBD derived radicals, were studied through high-level ab-initio ...
Jintao Chen +6 more
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Communications Chemistry, 2023 Alkanes are naturally abundant chemical building blocks that contain plentiful C(sp 3)-H bonds. While inert, the activation of C(sp 3)-H via hydrogen atom abstraction (HAT) stages an appealing approach to generate alkyl radicals.
Hyotaik Kang +6 more
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Low-Temperature Kinetic Isotope Effects in CH3OH+H -> CH2OH+H2 Shed Light on the Deuteration of Methanol in Space [PDF]
J. Phys. Chem. A 2019, 123, 42, 9061, 2020 We calculated reaction rate constants including atom tunneling for the hydrogen abstraction reaction CH3OH+H -> CH2OH+H2 with the instanton method. The potential energy was fitted by a neural network, that was trained to UCCSD(T)-F12/VTZ-F12 data. Bimolecular gas-phase rate constants were calculated using microcanonic instanton theory.
arxiv +1 more source
From Lattice Gauge Theories to Hydrogen Atoms [PDF]
Physics Letters B 749 (2015) 137-143, 2014 We construct canonical transformations to obtain a complete and most economical realization of the physical Hilbert space ${\cal H}^p$ of pure $SU(2)_{2+1}$ lattice gauge theory in terms of Wigner coupled Hilbert spaces of hydrogen atoms. One hydrogen atom is assigned to every plaquette of the lattice.
arxiv +1 more source
Frontiers in Chemistry, 2018 The oxidative C-H bond activation mediated by heme and nonheme enzymes and related biomimetics is one of the most interesting processes in bioinorganic and oxidative chemistry.
Lili Yang +4 more
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