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Substitution Effects in Aryl Halides and Amides into the Reaction Mechanism of Ullmann-Type Coupling Reactions.
Molecules. 2024 Apr 13;29(8):1770. doi: 10.3390/molecules29081770.
Molecules. 2024.
PMID: 38675590
Free PMC article.
Exploring the electronic and steric effects on the dimerization of intramolecular frustrated Lewis pairs: a comparison between aminoboranes and aminoalanes.
Barrales-Martínez C, Illanes-Solis C, Durán R, Caballero J.
Barrales-Martínez C, et al.
Dalton Trans. 2024 Apr 23;53(16):7000-7011. doi: 10.1039/d3dt04274j.
Dalton Trans. 2024.
PMID: 38563207
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New insights into H2 activation by intramolecular frustrated Lewis pairs based on aminoboranes: the local electrophilicity index of boron as a suitable indicator to tune the reversibility of the process.
Barrales-Martínez C, Durán R, Jaque P.
Barrales-Martínez C, et al.
Chem Sci. 2023 Oct 3;14(42):11798-11808. doi: 10.1039/d3sc03992g. eCollection 2023 Nov 1.
Chem Sci. 2023.
PMID: 37920343
Free PMC article.
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Hidden intermediate activation: a concept to elucidate the reaction mechanism of the Schmittel cyclization of enyne-allenes.
Durán R, Barrales-Martínez C, Matute RA.
Durán R, et al. Among authors: barrales martinez c.
Phys Chem Chem Phys. 2023 Feb 22;25(8):6050-6059. doi: 10.1039/d2cp04684a.
Phys Chem Chem Phys. 2023.
PMID: 36458512
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A deeper analysis of the role of synchronicity on the Bell-Evans-Polanyi plot in multibond chemical reactions: a path-dependent reaction force constant.
Barrales-Martínez C, Jaque P.
Barrales-Martínez C, et al.
Phys Chem Chem Phys. 2022 Jun 22;24(24):14772-14779. doi: 10.1039/d2cp01460b.
Phys Chem Chem Phys. 2022.
PMID: 35686531
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Interacting Quantum Atoms Analysis of the Reaction Force: A Tool to Analyze Driving and Retarding Forces in Chemical Reactions.
Barrales-Martínez C, Gutiérrez-Oliva S, Toro-Labbé A, Pendás ÁM.
Barrales-Martínez C, et al.
Chemphyschem. 2021 Oct 5;22(19):1976-1988. doi: 10.1002/cphc.202100428. Epub 2021 Aug 19.
Chemphyschem. 2021.
PMID: 34293240
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1,3-Dipolar Cycloadditions by a Unified Perspective Based on Conceptual and Thermodynamics Models of Chemical Reactivity.
Barrales-Martínez C, Martínez-Araya JI, Jaque P.
Barrales-Martínez C, et al.
J Phys Chem A. 2021 Jan 28;125(3):801-815. doi: 10.1021/acs.jpca.0c10013. Epub 2021 Jan 15.
J Phys Chem A. 2021.
PMID: 33448854
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