Alkorta I - Search Results

1

Computational design for enantioselective CO₂ capture: asymmetric frustrated Lewis pairs in epoxide transformations.

Ferrer M, Iribarren I, Renningholtz T, Alkorta I, Trujillo C. Ferrer M, et al. Among authors: alkorta i. Beilstein J Org Chem. 2024 Oct 22;20:2668-2681. doi: 10.3762/bjoc.20.224. eCollection 2024. Beilstein J Org Chem. 2024. PMID: 39469298 Free PMC article.

2

Evaluation of Electron Density Shifts in Noncovalent Interactions.

Iribarren I, Sánchez-Sanz G, Alkorta I, Elguero J, Trujillo C. Iribarren I, et al. Among authors: alkorta i. J Phys Chem A. 2021 Jun 10;125(22):4741-4749. doi: 10.1021/acs.jpca.1c00830. Epub 2021 Jun 1. J Phys Chem A. 2021. PMID: 34061527 Free PMC article.

3

Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups.

Ferrer M, Alkorta I, Elguero J, Oliva-Enrich JM. Ferrer M, et al. Among authors: alkorta i. J Phys Chem A. 2021 Aug 19;125(32):6976-6984. doi: 10.1021/acs.jpca.1c04787. Epub 2021 Aug 10. J Phys Chem A. 2021. PMID: 34375528 Free PMC article.

4

Use of 5,10-Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO₂.

Ferrer M, Alkorta I, Elguero J, Oliva-Enrich JM. Ferrer M, et al. Among authors: alkorta i. Chemphyschem. 2022 Sep 16;23(18):e202200204. doi: 10.1002/cphc.202200204. Epub 2022 Jul 14. Chemphyschem. 2022. PMID: 35703469 Free PMC article.

5

(Pyridin-2-ylmethyl)triel Derivatives as Masked Frustrated Lewis Pairs. Interactions and CO₂ -Sequestration.

Ferrer M, Alkorta I, Elguero J, Oliva-Enrich JM. Ferrer M, et al. Among authors: alkorta i. Chemphyschem. 2024 Mar 15;25(6):e202300750. doi: 10.1002/cphc.202300750. Epub 2024 Jan 25. Chemphyschem. 2024. PMID: 38215389

6

Capture of CO₂ by Melamine Derivatives: A DFT Study Combining the Relative Energy Gradient Method with an Interaction Energy Partitioning Scheme.

Ferrer M, Alkorta I, Elguero J, Oliva-Enrich JM. Ferrer M, et al. Among authors: alkorta i. J Phys Chem A. 2024 Feb 22;128(7):1288-1296. doi: 10.1021/acs.jpca.3c08412. Epub 2024 Feb 13. J Phys Chem A. 2024. PMID: 38351470 Free PMC article.

7

Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene Derivatives.

Sánchez-Sanz G, Trujillo C, Alkorta I, Elguero J. Sánchez-Sanz G, et al. Among authors: alkorta i. J Phys Chem A. 2017 Nov 22;121(46):8995-9003. doi: 10.1021/acs.jpca.7b09678. Epub 2017 Nov 10. J Phys Chem A. 2017. PMID: 29094935

8

Reactivity of Coinage Metal Hydrides for the Production of H₂ Molecules.

Iribarren I, Sánchez-Sanz G, Elguero J, Alkorta I, Trujillo C. Iribarren I, et al. Among authors: alkorta i. ChemistryOpen. 2021 Aug;10(8):724-730. doi: 10.1002/open.202100108. Epub 2021 Jul 28. ChemistryOpen. 2021. PMID: 34319005 Free PMC article.

9

Reactivity of Coinage Metal Hydrides for the Production of H₂ Molecules.

Iribarren I, Sánchez-Sanz G, Elguero J, Alkorta I, Trujillo C. Iribarren I, et al. Among authors: alkorta i. ChemistryOpen. 2021 Aug;10(8):722-723. doi: 10.1002/open.202100173. ChemistryOpen. 2021. PMID: 34351077 Free PMC article.

10

Reactivity of a model of B₃P₃-doped nanographene with up to three CO₂ molecules.

Ferrer M, Alkorta I, Elguero J, Oliva-Enrich JM. Ferrer M, et al. Among authors: alkorta i. Sci Rep. 2023 Feb 10;13(1):2407. doi: 10.1038/s41598-023-29336-y. Sci Rep. 2023. PMID: 36765069 Free PMC article.

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