We introduce density functional theory and review recent progress in its application to
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …

Electrochemical reactions often require an important overpotential1 to proceed at an
appreciable rate. This is particularly true when the reaction does not merely consist of an …

Organic halides are very important and versatile compounds with many applications as
starting materials, solvents, reagents, and intermediates in synthetic organic chemistry. 1 …

Pathways and kinetics through which chlorinated ethylenes and their daughter products
react with Fe (0) particles were investigated through batch experiments. Substantial intra …

Fluorochemicals (FCs) are oxidatively recalcitrant, environmentally persistent, and resistant
to most conventional treatment technologies. FCs have unique physiochemical properties …

Organohalide-respiring microorganisms can use a variety of persistent pollutants, including
trichloroethene (TCE), as terminal electron acceptors. The final two-electron transfer step in …

Measuring stable isotope fractionation of carbon, hydrogen, and other elements by
Compound Specific Isotope Analysis (CSIA) is a new, innovative approach to assess …

The ideas for the realization of the program AQUASIM described in this manual grew from
the experiences made in a lot of interdisciplinary studies at the Swiss Federal Institute for …

Within the last few decades, several anaerobic bacteria have been isolated which are able
to reductively dechlorinate chlorinated aliphatic and aromatic compounds at catabolic rates …

The transformation of trichloroethylene (TCE), tetrachloroethylene (PCE), and 1, 1-
dichloroethylene (1, 1-DCE) by 10 g/L (0.5 m2/L) FeS in aqueous solution at pH 8.3 was …