1.5k citations · 5.9k across the 84 of their papers we have counts for
Showing 2017 · physics.chem-phShow all
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physics.chem-ph2017★ 312 cited
How accurate is density functional theory at predicting dipole moments? An assessment using a new database of 200 benchmark values
Diptarka Hait, Martin Head-Gordon
Dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecu…
physics.chem-ph2017★ 247 cited
Ultrafast Triplet Pair Formation and Subsequent Thermally Activated Dissociation Control Efficient Endothermic Singlet Exciton Fission
Hannah L. Stern, Alexandre Cheminal, Shane R. Yost +12
Singlet exciton fission (SF), the conversion of one spin-singlet exciton (S1) into two spin-triplet excitons (T1), could provide a means to overcome the Shockley-Queisser limit in…