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20182025
most citedEC-MOF/Phase-I: A computationally ready database of electrically conductive metal-organic frameworks with high-throughput structural and electronic properties

35 citations · 94 across the 7 of their papers we have counts for

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physics.chem-ph2018★ 31 cited

Investigating Photoinduced Proton Coupled Electron Transfer Reaction using Quasi Diabatic Dynamics Propagation

Arkajit Mandal, Farnaz A. Shakib, Pengfei Huo

We investigate photoinduced proton-coupled electron transfer (PI-PCET) reaction through a recently devel- oped quasi-diabatic (QD) quantum dynamics propagation scheme. This scheme…