Computational study on the mechanisms and reaction pathways of the brominated alkyl radical (CHBr2/CBr3) with NO2 reactions
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DOI: 10.1016/j.comptc.2017.07.006
Abstract: Abstract Mechanisms and reaction channels of the CHBr 2 and CBr 3 with NO 2 reactions have been studied by quantum chemistry methods. The calculated results indicating that the title reactions can take place on… read more here.
Keywords: reactions computational; mechanisms reaction; bond; chemistry ... See more keywords
Tracking Structural Modifications from In-Situ Atom Probe Gas-Solid Reactions through Computational Homology
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DOI: 10.1017/s1431927617003956
Abstract: We have developed an in-situ reaction chamber for atom probe tomography (APT) to experimentally measure in-situ gas-surface reactions as a function of time, temperature, and pressure [1]. We are able to look at a very… read more here.
Keywords: atom probe; tracking structural; structural modifications; reactions computational ... See more keywords