K Y Samuel Chang

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Amending soil with black carbon (BC) can change the sorption properties of the soil. However, there is some concern based on studies that deal with newly produced BC and barely consider the possible changes in sorption properties for BC after being amended in soil. This study uses newly produced BC and historical BC samples, along with soils containing high(More)
We assess the predictive accuracy of perturbation theory based estimates of changes in covalent bonding due to linear alchemical interpolations among molecules. We have investigated σ bonding to hydrogen, as well as σ and π bonding between main-group elements, occurring in small sets of iso-valence-electronic molecules with elements drawn from second to(More)
'Alchemical' interpolation paths, i.e. coupling systems along fictitious paths without realistic correspondence, are frequently used within materials and molecular modeling simulation protocols for the estimation of changes in state functions such as free energies. We discuss alchemical changes in the context of quantum chemistry, and present illustrative(More)
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