Contreras R - Search Results

1

Lewis molecular acidity of ionic liquids from empirical energy-density models.

Contreras R, Aizman A, Tapia RA, Cerda-Monje A. Contreras R, et al. J Phys Chem B. 2013 Feb 14;117(6):1911-20. doi: 10.1021/jp3114946. Epub 2013 Jan 30. J Phys Chem B. 2013. PMID: 23323706

2

Solvent effects in ionic liquids: empirical linear energy-density relationships.

Cerda-Monje A, Aizman A, Tapia RA, Chiappe C, Contreras R. Cerda-Monje A, et al. Among authors: contreras r. Phys Chem Chem Phys. 2012 Jul 28;14(28):10041-9. doi: 10.1039/c2cp40619e. Epub 2012 Jun 19. Phys Chem Chem Phys. 2012. PMID: 22711339

3

Regional electrophilic and nucleophilic Fukui functions efficiently highlight the Lewis acidic/basic regions in ionic liquids.

Cerda-Monje A, Ormazábal-Toledo R, Cárdenas C, Fuentealba P, Contreras R. Cerda-Monje A, et al. Among authors: contreras r. J Phys Chem B. 2014 Apr 3;118(13):3696-701. doi: 10.1021/jp5009994. Epub 2014 Mar 20. J Phys Chem B. 2014. PMID: 24617616

4

On the principle of spin potential equalization.

Guerra D, Contreras R, Cedillo A, Aizman A, Fuentealba P. Guerra D, et al. Among authors: contreras r. J Phys Chem A. 2009 Feb 19;113(7):1390-6. doi: 10.1021/jp8066348. J Phys Chem A. 2009. PMID: 19149464

5

Bond Fukui functions as descriptor of the electron density reorganization in π conjugated systems.

Gonzalez-Suarez M, Aizman A, Soto-Delgado J, Contreras R. Gonzalez-Suarez M, et al. Among authors: contreras r. J Org Chem. 2012 Jan 6;77(1):90-5. doi: 10.1021/jo201465g. Epub 2011 Dec 6. J Org Chem. 2012. PMID: 22126265

6

Nucleophilicity index from perturbed electrostatic potentials.

Cedillo A, Contreras R, Galván M, Aizman A, Andrés J, Safont VS. Cedillo A, et al. Among authors: contreras r. J Phys Chem A. 2007 Mar 29;111(12):2442-7. doi: 10.1021/jp068459o. Epub 2007 Mar 8. J Phys Chem A. 2007. PMID: 17388330

7

Comparison between experimental and theoretical scales of electrophilicity in benzhydryl cations.

Pérez P, Toro-Labbé A, Aizman A, Contreras R. Pérez P, et al. Among authors: contreras r. J Org Chem. 2002 Jul 12;67(14):4747-52. doi: 10.1021/jo020255q. J Org Chem. 2002. PMID: 12098284

8

Specific nucleophile-electrophile interactions in nucleophilic aromatic substitutions.

Ormazábal-Toledo R, Contreras R, Tapia RA, Campodónico PR. Ormazábal-Toledo R, et al. Among authors: contreras r. Org Biomol Chem. 2013 Apr 14;11(14):2302-9. doi: 10.1039/c3ob27450k. Org Biomol Chem. 2013. PMID: 23423183

9

Gutmann's Donor Numbers Correctly Assess the Effect of the Solvent on the Kinetics of SN Ar Reactions in Ionic Liquids.

Alarcón-Espósito J, Contreras R, Tapia RA, Campodónico PR. Alarcón-Espósito J, et al. Among authors: contreras r. Chemistry. 2016 Sep 5;22(37):13347-51. doi: 10.1002/chem.201602237. Epub 2016 Aug 10. Chemistry. 2016. PMID: 27506894

10

Activation of Electrophile/Nucleophile Pair by a Nucleophilic and Electrophilic Solvation in a S_NAr Reaction.

Sánchez B, Calderón C, Tapia RA, Contreras R, Campodónico PR. Sánchez B, et al. Among authors: contreras r. Front Chem. 2018 Oct 23;6:509. doi: 10.3389/fchem.2018.00509. eCollection 2018. Front Chem. 2018. PMID: 30406087 Free PMC article.

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