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Resultats - López Fernández, Javier


López Fernández, Javier

Tesis Doctorals Dirigides / Theses 
2020 2021 2022 2023 2024
Títol: A Dynamical Perspective of the Environment in the Electronic Properties of Polyoxometalates. Accounting for Aggregation in Quantum Mechanical Calculations
Autor: Masip Sánchez, Albert
Director: Poblet Rius, Josep Maria; López Fernández, Javier
Universitat: N/D
Any: 2024
País: N/D
Títol: Theoretical study of Polyoxovanadates: Analysis of structural, magnetic and transport properties.
Autor: Notario Estevez, Almudena
Director: De Graaf, Cornelis; López Fernández, Javier
Universitat: N/D
Any: 2021
País: N/D
Títol: Theoretical study of polyoxovanadates: analysis of structural, magnetic and transport properties
Autor: Almudena Notario Estévez
Director: Cornelis De Graaf; Xavier López Fernández
Universitat: N/D
Any: 2021
País: N/D
Publicacions en Revista / Papers 
2020 2021 2022 2023 2024
Títol: Non-orthogonal Configuration Interaction Study on the Effect of Thermal Distortions on the Singlet Fission Process in Photoexcited Pure and B,N-Doped Pentacene Crystals
Autors: López, X; Straatsma, TP; Sánchez-Mansilla, A; de Graaf, C
Any: 2023 Clau: Article
Revista: Journal Of Physical Chemistry c
País: N/D
Títol: Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport Processes
Autors: López, X; Sánchez-Mansilla, A; Sousa, C; Straatsma, TP; Broer, R; de Graaf, C
Any: 2023 Clau: Article
Revista: Journal Of Physical Chemistry a
País: N/D
Títol: Electrocatalytic Reduction of Dinitrogen to Ammonia with Water as Proton and Electron Donor Catalyzed by a Combination of a Tri-ironoxotungstate and an Alkali Metal Cation
Autors: Tzaguy A; Masip-Sánchez A; Avram L; Solé-Daura A; López X; Poblet JM; Neumann R
Any: 2023 Clau: Article
Revista: Journal Of The American Chemical Society
País: N/D
Títol: Synthesis and Structural Characterization of Multi-Molybdenum-Substituted Preyssler-type Phosphotungstates
Autors: Khoiru Wihadi MN; Haioka T; Kojima T; López X; Ueda T; Sano T; Sadakane M
Any: 2022 Clau: Article
Revista: European Journal Of Inorganic Chemistry
País: N/D
Títol: Hybrid Molecular Magnets with Lanthanide- and Countercation-Mediated Interfacial Electron Transfer between Phthalocyanine and Polyoxovanadate
Autors: Werner I; Griebel J; Masip-Sánchez A; López X; Za¿¿ski K; Koz¿owski P; Kahnt A; Boerner M; Warneke Z; Warneke J; Monakhov KY
Any: 2022 Clau: Article
Revista: Inorganic Chemistry
País: N/D
Títol: New phosphotetradecavanadate hybrids: crystal structure, DFT analysis, stability and binding interactions with bio-macromolecules
Autors: Zarroug R; Artetxe B; Ayed B; López X; Ribeiro N; Correia I; Pessoa JC
Any: 2022 Clau: Article
Revista: Dalton Transactions
País: N/D
Títol: Insights from Adsorption and Electron Modification Studies of Polyoxometalates on Surfaces for Molecular Memory Applications
Autors: Moors, Marco; Warneke, Jonas; Lopez, Xavier; de Graaf, Coen; Abel, Bernd; Monakhov, Kirill Yu;
Any: 2021 Clau: Review
Revista: Accounts Of Chemical Research
País: N/D
Títol: Computational study of the staircase molecular conductivity of polyoxovanadates adsorbed on Au(111)dagger
Autors: Notario-Estevez, Almudena; Lopez, Xavier; de Graaf, Coen;
Any: 2021 Clau: Article
Revista: Dalton Transactions
País: N/D
Títol: Short-Acting Sedative-Analgesic Drugs Protect Against Development of Ventilator-Associated Events in Children: Secondary Analysis of the EUVAE Study
Autors: Peña-López Y; Ramírez-Estrada S; Serrano-Megías M; Lagunes L; Rello J; EUVAE Study Group
Any: 2021 Clau: Article
Revista: Respiratory Care
País: N/D
Títol: Gating the conductance of extended metal atom chains: a computational analysis of Ru-3(dpa)(4)(NCS)(2) and [Ru-3(npa)(4)(NCS)(2)]
Autors: Spivak, Mariano; de Graaf, Coen; Arcisauskaite, Vaida; Lopez, Xavier;
Any: 2021 Clau: Article
Revista: Physical Chemistry Chemical Physics
País: N/D
Títol: Tuning Photoinduced Electron Transfer in POM-Bodipy Hybrids by Controlling the Environment: Experiment and Theory
Autors: Toupalas, Georgios; Karlsson, Joshua; Black, Fiona A.; Masip-Sanchez, Albert; Lopez, Xavier; Ben M'Barek, Youssef; Blanchard, Sebastien; Proust, Anna; Alves, Sandra; Chabera, Pavel; Clark, Ian P.; Pullerits, Tonu; Poblet, Josep M.; Gibson, Elizabeth A.; Izzet, Guillaume;
Any: 2021 Clau: Article
Revista: Angewandte Chemie (International Ed. Print)
País: N/D
Títol: Tuning Photoinduced Electron Transfer in POM-Bodipy Hybrids by Controlling the Environment: Experiment and Theory
Autors: Toupalas, Georgios; Karlsson, Joshua; Black, Fiona A.; Masip-Sánchez, Albert; López, Xavier; Ben M'Barek, Youssef; Blanchard, Sébastien; Proust, Anna; Alves, Sandra; Chabera, Pavel; Clark, Ian P.; Pullerits, Tönu; Poblet, Josep M.; Gibson, Elizabeth A.; Izzet, Guillaume
Any: 2021 Clau: Article
Revista: Angewandte Chemie
País: N/D
Títol: Decavanadate salts of piperidine and triethanolamine: A combined experimental and theoretical study
Autors: Zarroug R; Abdallah AH; Guionneau P; Masip-Sánchez A; López X; Ayed B
Any: 2021 Clau: Article
Revista: Journal Of Molecular Structure
País: N/D
Títol: Tuning Photoinduced Electron Transfer in POM?bodipy Hybrids by Controlling the Environment, Experiment and Theory.
Autors: Georgios Toupalas; Joshua Karlsson; Fiona A Black; Albert Masip-Sánchez; Xavier López; Youssef Ben M'Barek; Sébastien Blanchard; Anna Proust; Sandra Alves; Pavel Chabera; Ian P Clark; Tönu Pullerits; Josep M Poblet; Elizabeth A Gibson; Guillaume Izzet
Any: 2020 Clau: Article
Revista: Angewandte Chemie
País: N/D
Llibres / Books 
2020 2021 2022 2023 2024
Capítols de Llibre / Book chapters 
2020 2021 2022 2023 2024
Altres Documents / Other documents 
2020 2021 2022 2023 2024
Patents Sol.licitades / Patents 
2020 2021 2022 2023 2024
Congressos / Conferences 
2020 2021 2022 2023 2024