25 citations · 25 across the 4 of their papers we have counts for
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physics.chem-ph2016
Control of Intramolecular Electron Transfer in Perylene Dihydrazides and Perylene Diimides: A Comparative Study by Time-Resolved Spectroscopy
Robin C. Döring, Eduard Baal, Malcolm A. Bartlett +4
Electron transfer (ET) in molecular donor-acceptor dye systems is crucial for charge transport in organic semiconductors. Classically, ET rates should decrease with increasing dono…
cond-mat.mtrl-sci2016★ 25 cited
NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations
G. A. de Wijs, R. Laskowski, P. Blaha +3
We present a benchmark of the density functional linear response calculation of NMR shieldings within the Gauge-Including Projector-Augmented-Wave method against all-electron Augme…