| Automatic chemical design using a data-driven continuous representation of molecules R Gómez-Bombarelli, JN Wei, D Duvenaud, JM Hernández-Lobato, ... ACS central science 4 (2), 268-276, 2018 | 3568 | 2018 |
| Conductive MOF electrodes for stable supercapacitors with high areal capacitance D Sheberla, JC Bachman, JS Elias, CJ Sun, Y Shao-Horn, M Dincă Nature materials 16 (2), 220-224, 2017 | 2137 | 2017 |
| High Electrical Conductivity in Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2, a Semiconducting Metal–Organic Graphene Analogue D Sheberla, L Sun, MA Blood-Forsythe, S Er, CR Wade, CK Brozek, ... Journal of the American Chemical Society 136 (25), 8859-8862, 2014 | 1059 | 2014 |
| Cu3 (hexaiminotriphenylene) 2: an electrically conductive 2D metal–organic framework for chemiresistive sensing MG Campbell, D Sheberla, SF Liu, TM Swager, M Dincă Angewandte Chemie International Edition 54 (14), 4349-4352, 2015 | 957 | 2015 |
| Accelerating the discovery of materials for clean energy in the era of smart automation DP Tabor, LM Roch, SK Saikin, C Kreisbeck, D Sheberla, JH Montoya, ... Nature reviews materials 3 (5), 5-20, 2018 | 723 | 2018 |
| Electrochemical oxygen reduction catalysed by Ni3(hexaiminotriphenylene)2 EM Miner, T Fukushima, D Sheberla, L Sun, Y Surendranath, M Dincă Nature communications 7 (1), 10942, 2016 | 663 | 2016 |
| Measuring and Reporting Electrical Conductivity in Metal–Organic Frameworks: Cd2(TTFTB) as a Case Study L Sun, SS Park, D Sheberla, M Dincă Journal of the American Chemical Society 138 (44), 14772-14782, 2016 | 266 | 2016 |
| A microporous and naturally nanostructured thermoelectric metal-organic framework with ultralow thermal conductivity L Sun, B Liao, D Sheberla, D Kraemer, J Zhou, EA Stach, D Zakharov, ... Joule 1 (1), 168-177, 2017 | 199 | 2017 |
| Products and mechanism of acene dimerization. A computational study SS Zade, N Zamoshchik, AR Reddy, G Fridman-Marueli, D Sheberla, ... Journal of the American Chemical Society 133 (28), 10803-10816, 2011 | 146 | 2011 |
| Conducting polyfurans by electropolymerization of oligofurans D Sheberla, S Patra, YH Wijsboom, S Sharma, Y Sheynin, AE Haj-Yahia, ... Chemical science 6 (1), 360-371, 2015 | 74 | 2015 |
| Highly coplanar very long oligo (alkylfuran) s: a conjugated system with specific head-to-head defect XH Jin, D Sheberla, LJW Shimon, M Bendikov Journal of the American Chemical Society 136 (6), 2592-2601, 2014 | 65 | 2014 |
| Dual character of arduengo carbene-radical adducts: Addition versus coordination product B Tumanskii, D Sheberla, G Molev, Y Apeloig Angewandte Chemie 119 (39), 7552, 2007 | 58 | 2007 |
| Importance of unpaired electrons in organic electronics JD Yuen, M Wang, J Fan, D Sheberla, M Kemei, N Banerji, M Scarongella, ... Journal of Polymer Science Part A: Polymer Chemistry 53 (2), 287-293, 2015 | 57 | 2015 |
| Closed-loop discovery platform integration is needed for artificial intelligence to make an impact in drug discovery SK Saikin, C Kreisbeck, D Sheberla, JS Becker, A Aspuru-Guzik Expert opinion on drug discovery 14 (1), 1-4, 2019 | 50 | 2019 |
| α-Oligofurans show a sizeable extent of π-conjugation as probed by Raman spectroscopy CC Ferrón, MCR Delgado, O Gidron, S Sharma, D Sheberla, Y Sheynin, ... Chemical Communications 48 (53), 6732-6734, 2012 | 41 | 2012 |
| Different electronic structure of phosphonyl radical adducts of N-heterocyclic carbenes, silylenes and germylenes: EPR spectroscopic study and DFT calculations D Sheberla, B Tumanskii, AC Tomasik, A Mitra, NJ Hill, R West, Y Apeloig Chemical Science 1 (2), 234-241, 2010 | 33 | 2010 |
| Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach CF Perkinson, DP Tabor, M Einzinger, D Sheberla, H Utzat, TA Lin, ... The Journal of chemical physics 151 (12), 2019 | 31 | 2019 |
| Isolation of silenolates (R3Si) 2Si= C (OLi) Ad with a doubly bonded silicon atom R Dobrovetsky, L Zborovsky, D Sheberla, M Botoshansky, ... Angew. Chem. Int. Ed 49, 4084-4087, 2010 | 26 | 2010 |
| Isolable photoreactive polysilyl radicals G Molev, B Tumanskii, D Sheberla, M Botoshansky, D Bravo-Zhivotovskii, ... Journal of the American Chemical Society 131 (33), 11698-11700, 2009 | 23 | 2009 |
| S. l. Er, CR Wade, CK Brozek, A. n. AspuruGuzik and M. Dinca D Sheberla, L Sun, MA Blood-Forsythe J. Am. Chem. Soc 136 (25), 8859, 2014 | 21 | 2014 |
Mircea DincăW. M. Keck Professor of Energy, Department of Chemistry, MITVerified email at mit.edu
