Following the computational strategy proposed by Mulliken in 1939 (J. Chem. Phys. 7 (5), 339-352 (1939)) when the concept of hyperconjugation was coined, we evaluated the hyperconjugative stabilization energy in 1,1,1-trihaloethane using the block-localize ...
The kinetics of iodate formation is a critical factor in mitigation of the formation of potentially toxic and off flavor causing iodoorganic compounds during chlorination. This study demonstrates that the formation of bromine through the oxidation of bromi ...
2012
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Iodine added to iodide-based ionic liquids leads to extraordi- narily efficient charge transport, vastly exceeding that expect- ed for such viscous systems. Using terahertz time-domain spectroscopy, in conjunction with dc conductivity, diffusivity and visc ...
In organic conductors the overlap integral between layers is small In-plane momentum scattering is rapid and transport perpendicular to the layers is expected to be blocked We present a high frequency conduction electron spin resonance (CESR) study in the ...
Attempts to develop quantitative structure-activity relationships (QSARs) for reductive dehalogenation have been hindered by the unavailability of high quality predictor variables, have included relatively few compounds, and on occasion have relied on data ...
Vanadium redox flow batteries (VRB) are large stationary electricity storage systems with many potential applications in a deregulated and decentralized network. Flow batteries (FB) store chemical energy and generate electricity by a redox reaction between ...
We report on the characteristics of the radical-ion-driven dissociation of a diverse array of beta-amino acids incorporated into alpha-peptides, as probed by tandem electron-capture and electron-transfer dissociation (ECD/ETD) mass spectrometry. The report ...
The HOCl heterogeneous reaction on frozen natural (NSS) and recrystallized (RSS) sea salt KCl and NaCl solutions was studied using a low pressure flow reactor in order to measure the uptake coefficient gamma and products of reaction The HOCl sample used in ...
Oldenbourg Wissenschaftsverlag GmbH, De Gruyter2010
Bromate (BrO3–) in drinking water is traditionally seen as an ozonation byproduct from the oxidation of bromide (Br–), and its formation during chlorination is usually not significant. This study shows enhanced bromate formation during chlorination of brom ...
N,N-Dimethylsulfamide (DMS), a newly identified, ubiquitous degradation product of the fungicide tolylfluanide, has been shown to be a N-nitrosodimethylamine (NDMA) precursor during zonation. In this study, batch ozonation experiments in ultrapure buffered ...