Rafael Gómez-Bombarelli
Rafael Gómez-Bombarelli
Assistant Professor, MIT DMSE
Verified email at mit.edu - Homepage
TitleCited byYear
Convolutional networks on graphs for learning molecular fingerprints
DK Duvenaud, D Maclaurin, J Iparraguirre, R Bombarell, T Hirzel, ...
Advances in neural information processing systems, 2224-2232, 2015
7252015
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
3952018
Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach
R Gómez-Bombarelli, J Aguilera-Iparraguirre, TD Hirzel, D Duvenaud, ...
Nature materials 15 (10), 1120, 2016
2352016
A redox-flow battery with an alloxazine-based organic electrolyte
K Lin, R Gómez-Bombarelli, ES Beh, L Tong, Q Chen, A Valle, ...
Nature Energy 1 (9), 16102, 2016
1372016
What is high-throughput virtual screening? A perspective from organic materials discovery
EO Pyzer-Knapp, C Suh, R Gómez-Bombarelli, J Aguilera-Iparraguirre, ...
Annual Review of Materials Research 45, 195-216, 2015
962015
Anthraquinone derivatives in aqueous flow batteries
MR Gerhardt, L Tong, R Gómez‐Bombarelli, Q Chen, MP Marshak, ...
Advanced Energy Materials 7 (8), 1601488, 2017
542017
Mechanisms of lactone hydrolysis in neutral and alkaline conditions
R Gómez-Bombarelli, E Calle, J Casado
The Journal of organic chemistry 78 (14), 6868-6879, 2013
312013
Computational calculation of equilibrium constants: Addition to carbonyl compounds
R Gómez-Bombarelli, M González-Pérez, MT Pérez-Prior, E Calle, ...
The Journal of Physical Chemistry A 113 (42), 11423-11428, 2009
302009
Vibration-assisted resonance in photosynthetic excitation-energy transfer
EK Irish, R Gómez-Bombarelli, BW Lovett
Physical Review A 90 (1), 012510, 2014
272014
An Alternative Host Material for Long‐Lifespan Blue Organic Light‐Emitting Diodes Using Thermally Activated Delayed Fluorescence
SG Ihn, N Lee, SO Jeon, M Sim, H Kang, Y Jung, DH Huh, YM Son, ...
Advanced Science 4 (8), 1600502, 2017
262017
Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model
R Gómez-Bombarelli, M González-Pérez, E Calle, J Casado
Chemical research in toxicology 25 (6), 1176-1191, 2012
262012
Computational study of the acid dissociation of esters and lactones. A case study of diketene
R Gómez-Bombarelli, M González-Pérez, MT Pérez-Prior, E Calle, ...
The Journal of organic chemistry 74 (14), 4943-4948, 2009
252009
Chemical reactivity and biological activity of diketene
R Gómez-Bombarelli, M González-Pérez, MT Pérez-Prior, JA Manso, ...
Chemical research in toxicology 21 (10), 1964-1969, 2008
232008
Mechanisms of lactone hydrolysis in acidic conditions
R Gómez-Bombarelli, E Calle, J Casado
The Journal of organic chemistry 78 (14), 6880-6889, 2013
182013
Synthesis and investigation of donor–porphyrin–acceptor triads with long-lived photo-induced charge-separate states
JB Kelber, NA Panjwani, D Wu, R Gómez-Bombarelli, BW Lovett, ...
Chemical science 6 (11), 6468-6481, 2015
162015
Sorbate− Nitrite Interactions: Acetonitrile Oxide as an Alkylating Agent
MT Pérez-Prior, R Gómez-Bombarelli, M González-Pérez, JA Manso, ...
Chemical research in toxicology 22 (7), 1320-1324, 2009
162009
DNA-damaging disinfection byproducts: alkylation mechanism of mutagenic mucohalic acids
R Gómez-Bombarelli, M González-Pérez, J Arenas-Valganón, ...
Environmental science & technology 45 (20), 9009-9016, 2011
152011
Reactivity of acrylamide as an alkylating agent: a kinetic approach
IF Céspedes‐Camacho, JA Manso, MT Pérez‐Prior, R Gómez‐Bombarelli, ...
Journal of Physical Organic Chemistry 23 (2), 171-175, 2010
152010
Photocell optimization using dark state protection
A Fruchtman, R Gómez-Bombarelli, BW Lovett, EM Gauger
Physical review letters 117 (20), 203603, 2016
132016
Reactivity of the mutagen 1, 4-dinitro-2-methylpyrrole as an alkylating agent
MT Pérez-Prior, R Gómez-Bombarelli, M González-Pérez, JA Manso, ...
The Journal of organic chemistry 75 (5), 1444-1449, 2010
112010
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Articles 1–20