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20092019
most citedDeep Neural Network Computes Electron Densities and Energies of a Large Set of Organic Molecules Faster than Density Functional Theory (DFT)

36 citations · 75 across the 6 of their papers we have counts for

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physics.chem-ph2009★ 8 cited

Modeling molecular crystals formed by spin-active metal complexes by atom-atom potentials

Anton V. Sinitskiy, Andrei L. Tchougréeff, Andrei M. Tokmachev +1

We apply the atom-atom potentials to molecular crystals of iron (II) complexes with bulky organic ligands. The crystals under study are formed by low-spin or high-spin molecules of…