82 citations · 181 across the 6 of their papers we have counts for
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physics.chem-ph2021★ 11 cited
Wavefunction-based electrostatic-embedding QM/MM using CFOUR through MiMiC
Till Kirsch, Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh +5
We present an interface of the wavefunction-based quantum-chemical software CFOUR to the multiscale modeling framework MiMiC. Electrostatic embedding of the quantummechanical (QM)…
physics.chem-ph2021★ 1 cited
Photo de-mixing in Dion-Jacobson two-dimensional mixed halide perovskites
Ya-Ru Wang, Alessandro Senocrate, Marko Mladenović +7
Two-dimensional (2D) halide perovskites feature a versatile structure, which not only enables the fine-tuning of their optoelectronic properties but also makes them appealing as mo…