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Resultats - LÓPEZ FERNÁNDEZ, JAVIER


LÓPEZ FERNÁNDEZ, JAVIER

Tesis Doctorals Dirigides / Theses 
2014 2015 2016 2017 2018 2019
Títol: Computational Modelling of Polyoxometalates: Progress on Accurate NMR Characterization and Reactivity
Autor: Magda Pascual Borràs
Director: Dr. Xavier López Fernández i Dr. Antonio Rodríguez Fortea
Universitat: Universitat Rovira i Virgili
Any: 2017
País: ESPANYA
Títol: Electronic structure calculations on Extended Metal Atom Chains. Insights on structural, magnetic and transport properties
Autor: Mariano Spivak
Director: Cornelis de Graaf; Xavier López
Universitat: Universitat Rovira i Virgili
Any: 2017
País: ESPANYA
Títol: Electronic Effects Governing the Redox Properties of Polyoxometalates
Autor: Pablo Arturo Aparicio Sánchez
Director: Josep Maria Poblet, Xavier López
Universitat: Universitat Rovira i Virgili
Any: 2014
País: ESPANYA
Publicacions en Revista / Papers 
2014 2015 2016 2017 2018 2019
Títol: Reactivity of a (Benzene)Ruthenium(II) Cation on a Di‐lacunary γ‐Keggin‐Type Silicotungstate and Synthesis of a Mono‐(Benzene)Ruthenium(II)‐Attached γ‐Keggin‐Type Silicotungstate
Autors: M. Kikuchi; H. Ota; X. López; T. Nakaya; N. Tsunoji; T. Sano; M. Sadakane
Any: 2018 Clau: Article
Revista: European Journal of Inorganic Chemistry (ISI)
País: ALEMANYA
Títol: Preparation of Preyssler-type Phosphotungstate with One Central Potassium Cation and Potassium Cation Migration into the Preyssler Molecule to form Di-Potassium-Encapsulated Derivative
Autors: A. Hayashi; M. Nur Khoiru Wihadi; H. Ota; X. López; K. Ichihashi; S. Nishihara; K. Inoue; N. Tsunoji; T. Sano; M. Sadakane
Any: 2018 Clau: Article
Revista: ACS OMEGA
País:
Títol: Effect of protonation, composition and isomerism on the redox properties and electron (de)localization of classical polyoxometalates
Autors: X. López
Any: 2018 Clau: Article
Revista: Physical Sciences Reviews
País:
Títol: Molecular Characteristics of a Mixed-Valence Polyoxovanadate {VIV/V18O42} in Solution and at the Liquid−Surface Interface
Autors: Oliver Linnenber; Marco Moors; Albert Solé-Daura; Xavier López; Christoph Baümer; Emmanuel Kentzinger; Wim Pyckhout-Hintzen; Kirill Yu. Monakhov
Any: 2017 Clau: Article
Revista: Journal Of Physical Chemistry C (ISI)
País: ESTATS UNITS D'AMÈRICA
Títol: Backbone flexibility of extended metal atom chains. Ab initio molecular dynamics for Cr3(dpa)4X2 (X = NCS, CN, NO3) in gas and crystalline phases
Autors: M. Spivak; V. Arcisauskaite; X. López; C. de Graaf
Any: 2017 Clau: Article
Revista: Dalton Transactions (ISI)
País: ANGLATERRA
Títol: Reconciling the valence state with magnetism in mixed-valent polyoxometalates: the case of a {VO2F2@V22O54} cluster
Autors: Piotr Kozłowski; Almudena Notario-Estévez; Coen de Graaf; Xavier López; Kirill Yu. Monakhov
Any: 2017 Clau: Article
Revista: Physical Chemistry Chemical Physics (ISI)
País: ANGLATERRA
Títol: A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains
Autors: Spivak, M; Arcisauskaite, V. ; López, J. ; McGrady, J. ; De Graaf, C.
Any: 2017 Clau: Article
Revista: Dalton Transactions (ISI)
País: ANGLATERRA
Títol: Preparation of α1- and α2-isomers of mono-Rusubstituted Dawson-type phosphotungstates with an aqua ligand and comparison of their redox potentials, catalytic activities, and thermal stabilities with Keggin-type derivativesy study
Autors: Kensuke Nishiki, Naoya Umehara, Yusuke Kadota, Xavier López, Josep M. Poblet, Charyle Ayingone Mezui, Anne-Lucie Teillout, Israël M. Mbomekalle, Pedro de Oliveira, Mayumi Miyamoto, Tsuneji Sano , Masahiro Sadakane
Any: 2016 Clau: Article
Revista: Dalton Transactions (ISI)
País: ANGLATERRA
Títol: On the formation of gold nanoparticles from [AuIIICl4]− and a non-classical reduced polyoxomolybdate as an electron source: a quantum mechanical modelling and experimental study
Autors: Zhongling Lang, Isabel Maicas Gabas, Xavier López, Anna Clotet, Jesús M. de la Fuente, Scott G. Mitchell, Josep M. Poblet
Any: 2016 Clau: Article
Revista: New Journal of Chemistry (ISI)
País: ANGLATERRA
Títol: Encapsulation of Two Potassium Cations in Preyssler-Type Phosphotungstates: Preparation, Structural Characterization, Thermal Stability, Activity as an Acid Catalyst, and HAADF-STEM Images
Autors: Akio Hayashi;Hiromi Ota;Xavier López;Norihito Hiyoshi;Nao Tsunoji;Tsuneji Sano;Masahiro Sadakane
Any: 2016 Clau: Article
Revista: Inorganic Chemistry (ISI)
País: ESTATS UNITS D'AMÈRICA
Títol: Mixed-Metal Hybrid Polyoxometalates with Amino Acid Ligands: Electronic Versatility and Solution Properties
Autors: Fateme Akhlaghi Bagherjeri, Michele Vonci, Edward A. Nagul, Chris Ritchie, Robert W. Gable, Matthew B. Taylor, Gary Bryant, Si-Xuan Guo, Jie Zhang, Pablo A. Aparicio, Xavier López, Josep M. Poblet, and Colette Boskovic
Any: 2016 Clau: Article
Revista: Inorganic Chemistry (ISI)
País: ESTATS UNITS D'AMÈRICA
Títol: On the formation of gold nanoparticles from [AuIIICl4]¿ and a non-classical reduced polyoxomolybdate as an electron source: a quantum mechanical modelling and experimental study
Autors: Poblet, JM; Lopez, X; Clotet, A; Zhongling Lang; Isabel Maicas Gabas; Jesús M. de la Fuente; Scott G. Mitchell
Any: 2016 Clau: Article
Revista: New Journal of Chemistry (ISI)
País: ANGLATERRA
Títol: Supramolecular Recognition Influences Magnetism in [X@HVIV 8VV14O54]6- self-assemblies with symmetry-breaking guest anions
Autors: Monakhov, K.Yu., Linnenberg, O., Kozlowski, P., Van Leusen, J., Besson, C., Secker, T., Ellern, A., López, X., Poblet, J.M., Kögerler, P.
Any: 2015 Clau: Article
Revista: Chemistry-A European Journal (ISI)
País: ALEMANYA
Títol: Accuracy of Embedded Fragment Calculation for Evaluating Electron Interactions in Mixed Valence Magnetic Systems: Study of 2e- Reduced Lindqvist Polyoxometalates
Autors: Suaud, N.; López, X.; BenAmor, N.; Bandeira, N.A.G.; de Graaf, C.; Poblet., J.M.
Any: 2015 Clau: Article
Revista: Journal Of Chemical Theory And Computation (ISI)
País: ESTATS UNITS D'AMÈRICA
Títol: Accurate Calculation of 31P NMR Chemical Shifts in Polyoxometalates
Autors: Magda Pascual-Borràs, Xavier López and Josep M. Poblet
Any: 2015 Clau: Article
Revista: Physical Chemistry Chemical Physics (ISI)
País: ANGLATERRA
Títol: Effect of electron (De)localization and pairing in the electrochemistry of polyoxometalates: Study of Wells-Dawson molybdotungstophosphate derivatives
Autors: Parent, L.; Aparicio, P.A.; De Oliveira, P.; Teillout, A.-L.; Poblet, J.M.; López, X.; Mbomekallé, I.M.
Any: 2014 Clau: Article
Revista: Inorganic Chemistry (ISI)
País: ESTATS UNITS D'AMÈRICA
Títol: Magnetochemical Complexity of Hexa- and Heptanuclear Wheel Complexes of Late-3d Ions Supported by N,O-Donor Pyridyl¿ Methanolate Ligands
Autors: Kirill Yu. Monakhov, Xavier López, Manfred Speldrich, Jan van Leusen, Paul Kogerler, Pierre Braunstein, Josep M. Poblet
Any: 2014 Clau: Article
Revista: Chemistry-A European Journal (ISI)
País: ALEMANYA
Títol: Modular Molecules: Site-Selective Metal Substitution, Photoreduction, and Chirality in Polyoxometalate Hybrids
Autors: Michele Vonci, Fateme Akhlaghi Bagherjeri, Peter D. Hall, Robert W. Gable, Athanasios Zavras, Richard A. J. O¿Hair, Yuping Liu, Jie Zhang, Matthew R. Field, Matthew B. Taylor, Johan Du Plessis, Gary Bryant, Mark Riley, Lorenzo Sorace, Pablo A. Aparicio, Xavier López, Josep M. Poblet, Chris Ritchie, Colette Boskovic
Any: 2014 Clau: Article
Revista: Chemistry-A European Journal (ISI)
País: ALEMANYA
Títol: 17O NMR chemical shifts in oxometalates: from the simplest monometallic species to mixed-metal polyoxometalates
Autors: Pascual-Borràs, M.; López, X.; Rodríguez-Fortea, A.; Errington, R.J.; M. Poblet, J.
Any: 2014 Clau: Article
Revista: Chemical Science (ISI)
País: ANGLATERRA
Títol: A comparative synthetic, magnetic and theoretical study of functional M4Cl4 cubane-type Co(II) and Ni(II) complexes
Autors: Ghisolfi, A.; Monakhov K.Y.; Pattacini, R.; Braunstein, P.; López, X.; de Graaf, C.; Speldrich, M.; van Leusen, J.; Schilder, H.; Kögerler, P.
Any: 2014 Clau: Article
Revista: Dalton Transactions (ISI)
País: ANGLATERRA
Títol: Electrochemical behaviour of mixed d metal-iron containing Wells-Dawson sandwich-type complexes: [(FeOH2)2M2(X2W15O56)2]n− and [(MOH2)2Fe2(X2W15O56)2]n− (M = CrIII, MnIII, MnII, CoII, NiII, CuII, ZnII, X = As or P and n = 12 or 14)
Autors: Floriant Doungmene, Pablo A. Aparicio, Joseline Ntienoue, Charyle S. Ayingone Mezui, Pedro de Oliveira, Xavier López, Israël M. Mbomekalle
Any: 2014 Clau: Article
Revista: Electrochimica Acta (ISI)
País: ANGLATERRA
Títol: Ability of DFT calculations to correctly describe redox potentials and electron (de)localization in polyoxometalates
Autors: Pablo A. Aparicio, Xavier López And Josep M. Poblet
Any: 2014 Clau: Article
Revista: Journal of Molecular and Engineering Materials
País:
Llibres / Books 
2014 2015 2016 2017 2018 2019
Capítols de Llibre / Book chapters 
2014 2015 2016 2017 2018 2019
Altres Documents / Other documents 
2014 2015 2016 2017 2018 2019
Patents Sol.licitades / Patents 
2014 2015 2016 2017 2018 2019
Congressos / Conferences 
2014 2015 2016 2017 2018 2019