Publications

Found 39 results
Filters: Author is Rafael Gómez-Bombarelli  [Clear All Filters]
2016
S. Noimark, Salvadori, E., Gómez-Bombarelli, R., MacRobert, A. J., Parkin, I. P., and Kay, C. W. M., Comparative study of singlet oxygen production by photosensitiser dyes encapsulated in silicone: towards rational design of anti-microbial surfaces, Physical Chemistry Chemical Physics, vol. 18, no. 40, pp. 28101 - 28109, 2016.
R. Gómez-Bombarelli, Aguilera-Iparraguirre, J., Hirzel, T. D., Duvenaud, D., Maclaurin, D., Blood-Forsythe, M. A., Chae, H. Sik, Einzinger, M., Ha, D. - G., Wu, T., Markopoulos, G., Jeon, S., Kang, H., Miyazaki, H., Numata, M., Kim, S., Huang, W., Hong, S. Ik, Baldo, M., Adams, R. P., and Aspuru-Guzik, A., Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach, Nature Materials, vol. 15, p. 1120 - , 2016.
R. Gómez-Bombarelli, Aguilera-Iparraguirre, J., Hirzel, T. D., Duvenaud, D., Maclaurin, D., Blood-Forsythe, M. A., Chae, H. Sik, Einzinger, M., Ha, D. - G., Wu, T., Markopoulos, G., Jeon, S., Kang, H., Miyazaki, H., Numata, M., Kim, S., Huang, W., Hong, S. Ik, Baldo, M., Adams, R. P., and Aspuru-Guzik, A., Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach, Nature Materials, vol. 15, no. 10, p. 1120 - +, 2016.
A. Fruchtman, Gómez-Bombarelli, R., Lovett, B. W., and Gauger, E. M., Photocell Optimization Using Dark State Protection, Physical Review Letters, vol. 117, no. 20, p. 203603, 2016.
K. Lin, Gómez-Bombarelli, R., Beh, E. S., Tong, L., Chen, Q., Valle, A., Aspuru-Guzik, A., Aziz, M. J., and Gordon, R. G., A redox-flow battery with an alloxazine-based organic electrolyte, Nature Energy, vol. 1, p. 16102, 2016.
R. Gómez-Bombarelli, Aguilera-Iparraguirre, J., Hirzel, T. D., Ha, D. - G., Einzinger, M., Wu, T., Baldo, M. A., and Aspuru-Guzik, A., Turbocharged molecular discovery of OLED emitters: From high-throughput quantum simulation to highly efficient TADF devices, in Organic Light Emitting Materials and Devices Xx, vol. 9941, F. So, Adachi, C., and Kim, J. J. Bellingham: Spie-Int Soc Optical Engineering, 2016, p. UNSP - 99410A.
2013
R. Gómez-Bombarelli, Calle, E., and Casado, J., Mechanisms of Lactone Hydrolysis in Acidic Conditions, Journal of Organic Chemistry, vol. 78, no. 14, pp. 6880 - 6889, 2013.
R. Gómez-Bombarelli, Calle, E., and Casado, J., Mechanisms of Lactone Hydrolysis in Neutral and Alkaline Conditions, Journal of Organic Chemistry, vol. 78, no. 14, pp. 6868 - 6879, 2013.
2012
T. M. Perez-Prior, Gómez-Bombarelli, R., M. Gonzalez-Sanchez, I., and Valero, E., Biocatalytic oxidation of phenolic compounds by bovine methemoglobin in the presence of H2O2: Quantitative structure-activity relationships, Journal of Hazardous Materials, vol. 241, pp. 207 - 215, 2012.
M. Gonzalez-Perez, Gómez-Bombarelli, R., Arenas-Valganon, J., M. Perez-Prior, T., M. Garcia-Santos, P., Calle, E., and Casado, J., Connecting the Chemical and Biological Reactivity of Epoxides, Chemical Research in Toxicology, vol. 25, no. 12, pp. 2755 - 2762, 2012.
R. Gómez-Bombarelli, Calle, E., and Casado, J., DNA Damage by Genotoxic Hydroxyhalofuranones: An in Silico Approach to MX, Environmental Science & Technology, vol. 46, no. 24, pp. 13463 - 13470, 2012.
R. Gómez-Bombarelli, Gonzalez-Perez, M., Perez-Prior, M. Teresa, Calle, E., and Casado, J., Genotoxic halofuranones in water: isomerization and acidity of mucohalic acids, Journal of Physical Organic Chemistry, vol. 25, no. 1, pp. 14 - 20, 2012.
R. Gómez-Bombarelli, Gonzalez-Perez, M., Calle, E., and Casado, J., Potential of the NBP Method for the Study of Alkylation Mechanisms: NBP as a DNA-Model (vol 25, pg 1176, 2012), Chemical Research in Toxicology, vol. 25, no. 8, pp. 1787 - 1787, 2012.
R. Gómez-Bombarelli, Gonzalez-Perez, M., Calle, E., and Casado, J., Potential of the NBP Method for the Study of Alkylation Mechanisms: NBP as a DNA-Model, Chemical Research in Toxicology, vol. 25, no. 6, pp. 1176 - 1191, 2012.
J. Arenas-Valganon, Gómez-Bombarelli, R., Gonzalez-Perez, M., Gonzalez-Jimenez, M., Calle, E., and Casado, J., Taurine-nitrite interaction as a precursor of alkylation mechanisms, Food Chemistry, vol. 134, no. 2, pp. 986 - 991, 2012.

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