Moreira IPR - Search Results

1

Pathway to Polyradicals: A Planar and Fully π-Conjugated Organic Tetraradical(oid).

Betkhoshvili S, Moreira IPR, Poater J, Maria Bofill J. Betkhoshvili S, et al. Among authors: moreira ipr. J Phys Chem Lett. 2024 May 16;15(19):5243-5249. doi: 10.1021/acs.jpclett.4c00686. Epub 2024 May 8. J Phys Chem Lett. 2024. PMID: 38718211 Free PMC article.

2

Calix[n]arene-based polyradicals: enhancing ferromagnetism by avoiding edge effects.

Reta D, Moreira IPR, Illas F. Reta D, et al. Among authors: moreira ipr. Phys Chem Chem Phys. 2017 Sep 13;19(35):24264-24270. doi: 10.1039/c7cp04145d. Phys Chem Chem Phys. 2017. PMID: 28848984

3

Controlling the Diradical Character of Thiele Like Compounds.

Anglada JM, Poater J, Moreira IPR, Bofill JM. Anglada JM, et al. Among authors: moreira ipr. J Org Chem. 2023 Jul 7;88(13):8553-8562. doi: 10.1021/acs.joc.3c00482. Epub 2023 Jun 20. J Org Chem. 2023. PMID: 37339010 Free PMC article.

4

Leap from Diradicals to Tetraradicals by Topological Control of π-Conjugation.

Betkhoshvili S, Poater J, Moreira IPR, Bofill JM. Betkhoshvili S, et al. Among authors: moreira ipr. J Org Chem. 2024 Oct 4;89(19):14006-14020. doi: 10.1021/acs.joc.4c01375. Epub 2024 Sep 20. J Org Chem. 2024. PMID: 39301849 Free PMC article.

5

Rational design of organic diradicals with robust high-spin ground state based on antiaromatic linkers.

Santiago R, Carvajal MÀ, Poater J, Moreira IPR, Bromley ST, Deumal M, Ribas-Ariño J. Santiago R, et al. Among authors: moreira ipr. Chem Sci. 2024 Nov 21;16(1):430-447. doi: 10.1039/d4sc05225k. eCollection 2024 Dec 18. Chem Sci. 2024. PMID: 39629484 Free PMC article.

6

First-principles periodic calculation of four-body spin terms in high-Tc cuprate superconductors.

Moreira Ide P, Calzado CJ, Malrieu JP, Illas F. Moreira Ide P, et al. Phys Rev Lett. 2006 Aug 25;97(8):087003. doi: 10.1103/PhysRevLett.97.087003. Epub 2006 Aug 25. Phys Rev Lett. 2006. PMID: 17026325 Free article.

7

Electronic structure and magnetic coupling in selenium substituted pyridine-bridged bisdithiazolyl multifunctional molecular materials.

Roncero-Barrero C, Ribas-Ariño J, Deumal M, Moreira IPR. Roncero-Barrero C, et al. Among authors: moreira ipr. Phys Chem Chem Phys. 2022 May 25;24(20):12196-12207. doi: 10.1039/d2cp00415a. Phys Chem Chem Phys. 2022. PMID: 35551353

8

Highly Adiabatic Time-Optimal Quantum Driving at Low Energy Cost.

Garcia L, Bofill JM, Moreira IPR, Albareda G. Garcia L, et al. Among authors: moreira ipr. Phys Rev Lett. 2022 Oct 28;129(18):180402. doi: 10.1103/PhysRevLett.129.180402. Phys Rev Lett. 2022. PMID: 36374669

9

Theoretical Analysis of Magnetic Coupling in the Ti₂C Bare MXene.

García-Romeral N, Morales-García Á, Viñes F, Moreira IPR, Illas F. García-Romeral N, et al. Among authors: moreira ipr. J Phys Chem C Nanomater Interfaces. 2023 Feb 14;127(7):3706-3714. doi: 10.1021/acs.jpcc.2c07609. eCollection 2023 Feb 23. J Phys Chem C Nanomater Interfaces. 2023. PMID: 36865991 Free PMC article.

10

How does thickness affect magnetic coupling in Ti-based MXenes.

García-Romeral N, Morales-García Á, Viñes F, Moreira IPR, Illas F. García-Romeral N, et al. Among authors: moreira ipr. Phys Chem Chem Phys. 2023 Jul 5;25(26):17116-17127. doi: 10.1039/d3cp01617j. Phys Chem Chem Phys. 2023. PMID: 37357567

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