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Page 1
Lewis molecular acidity of ionic liquids from empirical energy-density models.
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
On the catalytic effect of water in the intramolecular Diels–Alder reaction of quinone systems: a theoretical study.
Soto-Delgado J, Aizman A, Contreras R, Domingo LR.
Soto-Delgado J, et al. Among authors: aizman a.
Molecules. 2012 Nov 20;17(11):13687-703. doi: 10.3390/molecules171113687.
Molecules. 2012.
PMID: 23169266
Free PMC article.
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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: aizman a.
J Org Chem. 2012 Jan 6;77(1):90-5. doi: 10.1021/jo201465g. Epub 2011 Dec 6.
J Org Chem. 2012.
PMID: 22126265
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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: aizman a.
J Org Chem. 2002 Jul 12;67(14):4747-52. doi: 10.1021/jo020255q.
J Org Chem. 2002.
PMID: 12098284
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A theoretical study on the reaction mechanism for the bergman cyclization from the perspective of the electron localization function and catastrophe theory.
Santos JC, Andres J, Aizman A, Fuentealba P, Polo V.
Santos JC, et al. Among authors: aizman a.
J Phys Chem A. 2005 Apr 28;109(16):3687-93. doi: 10.1021/jp0441947.
J Phys Chem A. 2005.
PMID: 16839035
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An Aromaticity Scale Based on the Topological Analysis of the Electron Localization Function Including σ and π Contributions.
Santos JC, Andres J, Aizman A, Fuentealba P.
Santos JC, et al. Among authors: aizman a.
J Chem Theory Comput. 2005 Jan;1(1):83-6. doi: 10.1021/ct0499276.
J Chem Theory Comput. 2005.
PMID: 26641119
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