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20042007
most citedpi-stacking in thiophene oligomers as the driving force for electroactive materials and devices

1 citations · 1 across the 3 of their papers we have counts for

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cond-mat.soft2007

Simulation of Heme using DFT+U: a step toward accurate spin-state energetics

Damian A. Scherlis, Matteo Cococcioni, Patrick Sit +1

We investigate the DFT+U approach as a viable solution to describe the low-lying states of ligated and unligated iron heme complexes. Besides their central role in organometallic c…