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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
18042018
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
13512017
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
7292014
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
6382015
Electrochemical oxygen reduction catalysed by Ni3 (hexaiminotriphenylene) 2
EM Miner, T Fukushima, D Sheberla, L Sun, Y Surendranath, M Dincă
Nature communications 7 (1), 1-7, 2016
4642016
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
3922018
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
1632016
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
1162011
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
1112017
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
572015
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
522014
Dual character of Arduengo carbene–radical adducts: addition versus coordination product
B Tumanskii, D Sheberla, G Molev, Y Apeloig
Angewandte Chemie International Edition 46 (39), 7408-7411, 2007
502007
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
392015
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
392012
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
282010
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
242019
Isolation of Silenolates (R3Si)2SiC(OLi)Ad with a Doubly Bonded Silicon Atom
R Dobrovetsky, L Zborovsky, D Sheberla, M Botoshansky, ...
Angewandte Chemie International Edition 49 (24), 4084-4087, 2010
232010
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), 121102, 2019
182019
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
182009
Electronic Structure of Bis(silyl)carbon-, Bis(silyl)silicon-, and Bis(silyl)germanium-Centered Radicals (R3Si)2XE (E = C, Si, Ge; X = H, Re(CO)5, F): EPR and …
D Sheberla, B Tumanskii, D Bravo-Zhivotovskii, G Molev, V Molev, VY Lee, ...
Organometallics 29 (21), 5596-5606, 2010
162010
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