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: Almudena Notario Estévez |
| Director: Cornelis De Graaf; Xavier López Fernández |
| Universitat: N/D |
| Any: 2021 |
| 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 |
| 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 |
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| Capítols de Llibre / Book chapters |
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| Altres Documents / Other documents |
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| Patents Sol.licitades / Patents |
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| Congressos / Conferences |
| 2020 | 2021 | 2022 | 2023 | 2024 |
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