Gomez-Bombarelli R - Search Results

1

A Model Ensemble Approach Enables Data-Driven Property Prediction for Chemically Deconstructable Thermosets in the Low-Data Regime.

AlFaraj YS, Mohapatra S, Shieh P, Husted KEL, Ivanoff DG, Lloyd EM, Cooper JC, Dai Y, Singhal AP, Moore JS, Sottos NR, Gomez-Bombarelli R, Johnson JA. AlFaraj YS, et al. Among authors: gomez bombarelli r. ACS Cent Sci. 2023 Sep 14;9(9):1810-1819. doi: 10.1021/acscentsci.3c00502. eCollection 2023 Sep 27. ACS Cent Sci. 2023. PMID: 37780353 Free PMC article.

2

Alkylating potential of oxetanes.

Gómez-Bombarelli R, Palma BB, Martins C, Kranendonk M, Rodrigues AS, Calle E, Rueff J, Casado J. Gómez-Bombarelli R, et al. Chem Res Toxicol. 2010 Jul 19;23(7):1275-81. doi: 10.1021/tx100153w. Chem Res Toxicol. 2010. PMID: 20550097

3

Synthesis and investigation of donor-porphyrin-acceptor triads with long-lived photo-induced charge-separate states.

Kelber JB, Panjwani NA, Wu D, Gómez-Bombarelli R, Lovett BW, Morton JJL, Anderson HL. Kelber JB, et al. Chem Sci. 2015 Nov 1;6(11):6468-6481. doi: 10.1039/c5sc01830g. Epub 2015 Jul 31. Chem Sci. 2015. PMID: 30090266 Free PMC article.

4

Reactivity of the mutagen 1,4-dinitro-2-methylpyrrole as an alkylating agent.

Pérez-Prior MT, Gómez-Bombarelli R, González-Pérez M, Manso JA, García-Santos MP, Calle E, Casado J. Pérez-Prior MT, et al. J Org Chem. 2010 Mar 5;75(5):1444-9. doi: 10.1021/jo902329q. J Org Chem. 2010. PMID: 20121054

5

Computational study of the acid dissociation of esters and lactones. A case study of diketene.

Gómez-Bombarelli R, González-Pérez M, Pérez-Prior MT, Calle E, Casado J. Gómez-Bombarelli R, et al. J Org Chem. 2009 Jul 17;74(14):4943-8. doi: 10.1021/jo900645h. J Org Chem. 2009. PMID: 19459649

6

Computational calculation of equilibrium constants: addition to carbonyl compounds.

Gómez-Bombarelli R, González-Pérez M, Pérez-Prior MT, Calle E, Casado J. Gómez-Bombarelli R, et al. J Phys Chem A. 2009 Oct 22;113(42):11423-8. doi: 10.1021/jp907209a. J Phys Chem A. 2009. PMID: 19761202

7

Sorbate-nitrite interactions: acetonitrile oxide as an alkylating agent.

Pérez-Prior MT, Gómez-Bombarelli R, González-Pérez M, Manso JA, García-Santos MP, Calle E, Casado J. Pérez-Prior MT, et al. Chem Res Toxicol. 2009 Jul;22(7):1320-4. doi: 10.1021/tx9001226. Chem Res Toxicol. 2009. PMID: 19580248

8

Connecting the chemical and biological reactivity of epoxides.

González-Pérez M, Gómez-Bombarelli R, Arenas-Valgañón J, Pérez-Prior MT, García-Santos MP, Calle E, Casado J. González-Pérez M, et al. Chem Res Toxicol. 2012 Dec 17;25(12):2755-62. doi: 10.1021/tx300389z. Epub 2012 Dec 7. Chem Res Toxicol. 2012. PMID: 23171086

9

Alkylating potential of styrene oxide: reactions and factors involved in the alkylation process.

González-Pérez M, Gómez-Bombarelli R, Pérez-Prior MT, Arenas-Valgañón J, García-Santos MP, Calle E, Casado J. González-Pérez M, et al. Chem Res Toxicol. 2014 Oct 20;27(10):1853-9. doi: 10.1021/tx5002892. Epub 2014 Sep 29. Chem Res Toxicol. 2014. PMID: 25222830

10

Mechanisms of lactone hydrolysis in acidic conditions.

Gómez-Bombarelli R, Calle E, Casado J. Gómez-Bombarelli R, et al. J Org Chem. 2013 Jul 19;78(14):6880-9. doi: 10.1021/jo4002596. Epub 2013 Jun 17. J Org Chem. 2013. PMID: 23731203

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

64 results

Search Page