Moreira IPR - Search Results

1

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

2

Differential behavior of amino-imino constitutional isomers in nonlinear optical processes.

Latorre S, Moreira Ide P, Villacampa B, Julià L, Velasco D, Bofill JM, López-Calahorra F. Latorre S, et al. Chemphyschem. 2010 Mar 15;11(4):912-9. doi: 10.1002/cphc.200900616. Chemphyschem. 2010. PMID: 20143379

3

A comparison model between density functional and wave function theories by means of the Löwdin partitioning technique.

Caballero M, Moreira Ide P, Bofill JM. Caballero M, et al. J Chem Phys. 2013 May 7;138(17):174107. doi: 10.1063/1.4802200. J Chem Phys. 2013. PMID: 23656114

4

Experimental and Computational Evidence of the Biradical Structure and Reactivity of Titanium(IV) Enolates.

Heras C, Gómez-Palomino A, Romea P, Urpí F, Bofill JM, Moreira IPR. Heras C, et al. Among authors: moreira ipr. J Org Chem. 2017 Sep 1;82(17):8909-8916. doi: 10.1021/acs.joc.7b01174. Epub 2017 Aug 21. J Org Chem. 2017. PMID: 28783338

5

Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to Locate Transition States.

Bofill JM, Ribas-Ariño J, Valero R, Albareda G, Moreira IPR, Quapp W. Bofill JM, et al. Among authors: moreira ipr. J Chem Theory Comput. 2019 Oct 8;15(10):5426-5439. doi: 10.1021/acs.jctc.8b01061. Epub 2019 Sep 4. J Chem Theory Comput. 2019. PMID: 31433636 Free article.

6

Quantum equilibration of the double-proton transfer in a model system porphine.

Albareda G , Riera A , González M , Bofill JM , Moreira IPR , Valero R , Tavernelli I . Albareda G , et al. Among authors: moreira ipr. Phys Chem Chem Phys. 2020 Oct 15;22(39):22332-22341. doi: 10.1039/d0cp02991b. Phys Chem Chem Phys. 2020. PMID: 33020767

7

Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method.

Bofill JM, Quapp W, Albareda G, Moreira IPR, Ribas-Ariño J. Bofill JM, et al. Among authors: moreira ipr. J Chem Theory Comput. 2022 Feb 8;18(2):935-952. doi: 10.1021/acs.jctc.1c00943. Epub 2022 Jan 19. J Chem Theory Comput. 2022. PMID: 35044173

8

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.

9

An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system.

Bofill JM, Severi M, Quapp W, Ribas-Ariño J, Moreira IPR, Albareda G. Bofill JM, et al. Among authors: moreira ipr. J Chem Phys. 2023 Sep 21;159(11):114112. doi: 10.1063/5.0167749. J Chem Phys. 2023. PMID: 37724726

10

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.

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