Biblio

Found 38 results
Filters: Author is Gómez-Bombarelli, R.  [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, 2016.
R. Gómez-Bombarelli, Aguilera-Iparraguirre, J., Hirzel, T. D., Duvenaud, D., Maclaurin, D., Blood-Forsythe, M. A., Chae, H. S., Einzinger, M., Ha, D. - G., Wu, T., Markopoulos, G., Jeon, S., Kang, H., Miyazaki, H., Numata, M., Kim, S., Huang, W., Hong, S. I., 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, 2016.
A. Fruchtman, Gómez-Bombarelli, R., Lovett, B. W., and Gauger, E. M., Photocell optimization using dark state protection, Physical Review Letters, vol. 117, 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, 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 Proceedings of SPIE - The International Society for Optical Engineering, 2016, vol. 9941.
2012
M. T. Pérez-Prior, Gómez-Bombarelli, R., González-Sánchez, M. I., and Valero, E., Biocatalytic oxidation of phenolic compounds by bovine methemoglobin in the presence of H\textlessinf\textgreater2\textless/inf\textgreaterO\textlessinf\textgreater2\textless/inf\textgreater: Quantitative structure-activity relationships}, Journal of Hazardous Materials, vol. 241-242, 2012.
M. González-Pérez, Gómez-Bombarelli, R., Arenas-Valgañõn, J., Pérez-Prior, M. T., García-Santos, M. P., Calle, E., and Casado, J., Connecting the chemical and biological reactivity of epoxides, Chemical Research in Toxicology, vol. 25, 2012.
R. Gómez-Bombarelli, Calle, E., and Casado, J., DNA damage by genotoxic hydroxyhalofuranones: An in silico approach to MX, Environmental Science and Technology, vol. 46, 2012.
R. Gómez-Bombarelli, González-Pérez, M., Calle, E., and Casado, J., Erratum: Potential of the NBP method for the study of alkylation mechanisms: NBP as a DNA-model (Chemical Research in Toxicology (2012) 25:6 (1176-1191) DOI: 10.1021/tx300065v), Chemical Research in Toxicology, vol. 25, 2012.
R. Gómez-Bombarelli, González-Pérez, M., Pérez-Prior, M. T., Calle, E., and Casado, J., Genotoxic halofuranones in water: Isomerization and acidity of mucohalic acids, Journal of Physical Organic Chemistry, vol. 25, 2012.
J. Arenas-Valgañõn, Gómez-Bombarelli, R., González-Pérez, M., González-Jiménez, M., Calle, E., and Casado, J., Taurine-nitrite interaction as a precursor of alkylation mechanisms, Food Chemistry, vol. 134, 2012.
2009
J. A. Manso, Pérez-Prior, M. T., Gómez-Bombarelli, R., González-Pérez, M., Céspedes, F., García-Santos, M. P., Callea, E., and Casado, J., Alkylating potential of N-phenyl-N-nitrosourea, Journal of Physical Organic Chemistry, vol. 22, 2009.
R. Gómez-Bombarelli, González-Pérez, M., Pérez-Prior, M. T., Calle, E., and Casado, J., Computational calculation of equilibrium constants: Addition to carbonyl compounds, Journal of Physical Chemistry A, vol. 113, 2009.
R. Gómez-Bombarelli, González-Pérez, M., Pérez-Prior, M. T., Calle, E., and Casado, J., Computational study of the acid dissociation of esters and lactones. A case study of diketene, Journal of Organic Chemistry, vol. 74, 2009.
R. Gómez-Bombarelli, González-Pérez, M., Pérez-Prior, M. T., Manso, J. A., Calle, E., and Casado, J., Kinetic study of the neutral and base hydrolysis of diketene, Journal of Physical Organic Chemistry, vol. 22, 2009.
M. T. Pérez-Prior, Manso, J. A., Gómez-Bombarelli, R., González-Pérez, M., Céspedes, I. F., García-Santos, M. P., Calle, E., and Casado, J., Solvent effects in the decomposition reaction of some products formed by the reaction of sorbic acid with sodium nitrite: 1, 4-dinitro-2-methylpyrrole and ethylnitrolic acid, Journal of Physical Organic Chemistry, vol. 22, 2009.
M. T. Pérez-Prior, Gómez-Bombarelli, R., González-Pérez, M., Manso, J. A., García-Santos, M. P., Calle, E., and Casado, J., Sorbate-nitrite interactions: Acetonitrile oxide as an alkylating agent, Chemical Research in Toxicology, vol. 22, 2009.