DENSITY-FUNCTIONAL THEORY; HOMOGENEOUS AQUEOUS-SOLUTION; REDUCTIVE DECHLORINATION; ISOTOPE FRACTIONATION; MEDIATED REDUCTION; UNITED-STATES; IRON SULFIDE; HEMATITE; MAGNETITE; TRICHLOROETHYLENE
JOURNAL OF PHYSICAL CHEMISTRY A, v.119, no.22, pp.5714 - 5722
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