Electronic, structural, and optical properties of host materials for inorganic phosphors
Alemany, Pere, Moreira, Ibério de P.R., Castillo, Rodrigo, Llanos, Jaime
Published in Journal of alloys and compounds (05.02.2012)
Published in Journal of alloys and compounds (05.02.2012)
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Journal Article
Toward the Design of Ferromagnetic Molecular Complexes: Magnetostructural Correlations in Ferromagnetic Triply Bridged Dinuclear Cu(II) Compounds Containing Carboxylato and Hydroxo Bridges
Costa, Ramon, Moreira, Ibério de P.R, Youngme, Sujittra, Siriwong, Khatcharin, Wannarit, Nanthawat, Illas, Francesc
Published in Inorganic chemistry (04.01.2010)
Published in Inorganic chemistry (04.01.2010)
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Journal Article
Remarks on the exact energy functional for fermions: an analysis using the Löwdin partitioning technique
Caballero, Marc, Moreira, Ibério de P.R., Bofill, Josep Maria
Published in Molecular physics (19.03.2014)
Published in Molecular physics (19.03.2014)
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Journal Article
Quantum equilibration of the double-proton transfer in a model system porphine
Albareda, Guillermo, Riera, Arnau, González, Miguel, Bofill, Josep Maria, Moreira, Iberio de P. R, Valero, Rosendo, Tavernelli, Ivano
Published in Physical chemistry chemical physics : PCCP (15.10.2020)
Published in Physical chemistry chemical physics : PCCP (15.10.2020)
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Journal Article
Highly Adiabatic Time-Optimal Quantum Driving at Low Energy Cost
Garcia, Lluc, Bofill, Josep Maria, Moreira, Ibério de P R, Albareda, Guillermo
Published in Physical review letters (28.10.2022)
Published in Physical review letters (28.10.2022)
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Journal Article
Buckletronics: how compression-induced buckling affects the mechanical and electronic properties of sp 2 -based two-dimensional materials
Lopez-Suarez, Miquel, Lleopart, Genis, Morales-Salvador, Raul, Moreira, Ibério de P R, Bromley, Stefan T
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (10.07.2023)
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (10.07.2023)
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Journal Article
Controlling the Diradical Character of Thiele Like Compounds
Anglada, Josep M., Poater, Jordi, Moreira, Ibério de P. R., Bofill, Josep Maria
Published in Journal of organic chemistry (07.07.2023)
Published in Journal of organic chemistry (07.07.2023)
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Journal Article
An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system
Bofill, Josep Maria, Severi, Marco, Quapp, Wolfgang, Ribas-Ariño, Jordi, Moreira, Ibério de P. R., Albareda, Guillermo
Published in The Journal of chemical physics (21.09.2023)
Published in The Journal of chemical physics (21.09.2023)
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Journal Article
Through-bond and through-space effects in the magnetic properties of nitroxide biradicals by an integrated QM/MM approach including solvent effects
Barone, Vincenzo, di Matteo, Andrea, Mele, Franca, Moreira, Iberio de P.R, Illas, Francesc
Published in Chemical physics letters (19.03.1999)
Published in Chemical physics letters (19.03.1999)
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Journal Article
Nature of Holes, Oxidation States, and Hypervalency in Covellite (CuS)
Conejeros, Sergio, Moreira, Ibério de P. R, Alemany, Pere, Canadell, Enric
Published in Inorganic chemistry (01.12.2014)
Published in Inorganic chemistry (01.12.2014)
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Journal Article
Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method
Bofill, Josep Maria, Quapp, Wolfgang, Albareda, Guillermo, Moreira, Ibério de P. R, Ribas-Ariño, Jordi
Published in Journal of chemical theory and computation (08.02.2022)
Published in Journal of chemical theory and computation (08.02.2022)
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Journal Article
A catastrophe theory-based model for optimal control of chemical reactions by means of oriented electric fields
Bofill, Josep Maria, Quapp, Wolfgang, Albareda, Guillem, Moreira, Ibério de P. R., Ribas-Ariño, Jordi, Severi, Marco
Published in Theoretical chemistry accounts (01.02.2023)
Published in Theoretical chemistry accounts (01.02.2023)
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Journal Article
Electronic Structure and Magnetic Properties of CuFeS2
Conejeros, Sergio, Alemany, Pere, Llunell, Miquel, Moreira, Ibério de P. R, Sánchez, Vı́ctor, Llanos, Jaime
Published in Inorganic chemistry (18.05.2015)
Published in Inorganic chemistry (18.05.2015)
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