File:Chemical-potentials-for-AC-N-O-H-atoms.jpg
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editDescriptionChemical-potentials-for-AC-N-O-H-atoms.jpg |
English: Chemical potentials for A={C, N, O, H} atoms. The isosurface was generated for =3.8 Å −2 (the index i is used to sum over all atoms of the corresponding molecule). The molecules shown are (in order from top to bottom of the figure): benzene, toluene, salicylic acid and malondehyde. Atom colouring: carbon=black, hydrogen=white, oxygen=red. |
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Source | Kristof T. Schütt, Farhad Arbabzadah, Stefan Chmiela, Klaus R. Müller, Alexandre Tkatchenko. "Quantum-chemical insights from deep tensor neural networks ," Nature Communications doi:10.1038/ncomms13890 |
Author | Kristof T. Schütt, Farhad Arbabzadah, Stefan Chmiela, Klaus R. Müller, Alexandre Tkatchenko |
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current | 14:25, 12 January 2018 | 788 × 709 (134 KB) | Sohmen (talk | contribs) | Transferred from https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5228054/bin/ncomms13890-f2.jpg |
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Date and time of digitizing | 22:44, 10 January 2017 |
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