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Dennis Sheberla
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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
32652018
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
20232017
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
10002014
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
9022015
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
6762018
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
6342016
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
2572016
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
1862017
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
1412011
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
732015
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
642014
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
582007
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
562015
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
482019
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
412012
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
322010
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
292019
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
262010
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
222009
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
212014
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