Browsing by Author Moreira, Ibério de Pinho Ribeiro

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Issue DateTitleAuthor(s)
26-Oct-2022Highly Adiabatic Time-Optimal Quantum Driving at Low Energy CostGarcia, Lluc; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Albareda, Guillermo
5-Jul-2023How does thickness affect magnetic coupling in Ti-based MXenesGarcía-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
2006Importance of the embedding environment on the strain within small rings in siliceous materialsBromley, Stefan Thomas; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Wojdel, Jacek C.
21-Aug-2019Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition statesBofill i Villà, Josep M.; Ribas Ariño, Jordi; Valero Montero, Rosendo; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang
1999Local character of magnetic coupling in ionic solidsMoreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Calzado, C. J.; Sanz, J. F.; Malrieu, J. P.; Ben Amor, N.; Maynau, D.
11-Jul-2014Long, Multicenter Bonding Present in Radical-Radical Interactions: A Computational StudyCapdevila i Cortada, Marçal
27-May-2016Magnetic coupling constants in three electrons three centres problems from effective Hamiltonian theory and validation of broken symmetry based approachesReta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
1999Magnetic coupling in the weac ferromagnet CuF2Reinhardt, P.; Habas, M. P.; Dovesi, R.; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
2002Magnetic structure of Li2CuO2: From ab initio calculations to macroscopic simulationsGraaf, Coen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc; Iglesias, Òscar; Labarta, Amílcar
2005Magnitude of interplane effective parameters in multilayered high-Tc cuprate superconductorsMuñoz Ramos, David; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
2000Magnitude of the First and Second Neighbour Magnetic Interactions in the Spin Chain Compound Li2CuO2Graaf, Coen de; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
25-Feb-2015On the mechanism of phenolic formylation mediated by TiCl4 complexes: existence of diradical intermediates induced by valence tautomerismHeras, Carlos, 1986-; Ramos Tomillero, Iván; Caballero Puig, Marc; Paradís Bas, Marta; Nicolás Galindo, Ernesto; Albericio Palomera, Fernando; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.
5-Apr-2018Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear ComplexesCosta Sala, Ramon; Reta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
14-Sep-2020Quantum equilibration of the double-proton transfer in a model system PorphineAlbareda, Guillermo; Riera, Arnau; González Pérez, Miguel; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Valero Montero, Rosendo; Tavernelli, Ivano
25-Sep-2020Quantum Zermelo problem for general energy resource boundsBofill i Villà, Josep M.; Sanz, Ángel S.; Albareda, Guillermo; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang
6-Jan-2014Remarks on the exact energy functional for fermions: an analysis using the Löwdin partitioning techniqueCaballero Puig, Marc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.
14-Feb-2023Theoretical Analysis of Magnetic Coupling in the Ti2C Bare MXeneGarcía-Romeral, Néstor; Morales-García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
7-May-2018Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methodsAlbareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime
22-Jan-2016Understanding and predicting magnetic coupling in complex systems: from inorganic complexes to organic polyradicalsReta Mañeru, Daniel