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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 314
Issue DateTitleAuthor(s)
2001Fonament de l'efecte hivernacle: una breu introducció a l'espectre infraroig de les molècules senzillesGranell Sanvicente, Jaime Ramón
5-Apr-2018Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear ComplexesCosta Sala, Ramon; Reta, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
24-Jul-2018Element-Selective Molecular Charge Transport Characteristics of Binuclear Copper(II)-Lanthanide(III) ComplexesSchmitz, Sebastian; Kovalchuk, Andrew; Martín Rodríguez, Alejandro; van Leusen, Jan; Izarova, Natalya V.; Bourone, Svenja D. M.; Ai, Yong; Ruiz Sabín, Eliseo; Chiechi, Ryan C.; Kögerler, Paul; Monakhov, Kirill Yu.
18-Sep-2019Nickel-catalyzed aryl trifluoromethyl sulfides synthesis: A DFT studyJover Modrego, Jesús
10-Jun-2016Analyzing slowly exchanging protein conformations by ion mobility mass spectrometry: study of the dynamic equilibrium of prolyl oligopeptidaseLópez Asamar, Abraham; Vilaseca Casas, Marta; Madurga Díez, Sergio; Varese, Monica; Tarragó Clua, Maria Teresa; Giralt Lledó, Ernest
5-Aug-2019Enantioselective Synthesis of β-Methyl Amines via Iridium-Catalyzed Asymmetric Hydrogenation of N-Sulfonyl Allyl Amines.Cabré Montesinos, Albert; Verdaguer i Espaulella, Xavier; Riera i Escalé, Antoni
1-Jul-2019Mild Iridium-Catalysed Isomerization of Epoxides. Computational Insights and Application to the Synthesis of β-Alkyl AminesCabré Montesinos, Albert; Cabezas Giménez, Juan José; Sciortino, Giuseppe; Ujaque, Gregori; Verdaguer i Espaulella, Xavier; Lledós, Agustí (Lledós i Falcó); Riera i Escalé, Antoni
16-Apr-2019Iridium complexes with P-stereogenic phosphino imidazole ligands: Synthesis, structure and catalysisÁlvarez Yebra, Rubén; Rojo, Pep; Riera i Escalé, Antoni; Verdaguer i Espaulella, Xavier
2016The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of AlcoholsJover Modrego, Jesús; García-Ratés, Sara; López, Núria (López Alonso)
23-Oct-2018Single-ion magnetic anisotropy in a vacant octahedral Co(II) complexMondal, Amit Kumar; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Konar, Sanjit
2019Ammonia-borane derived BN fragments trapped on bi- and trimetallic titanium(III) systemsDel Horno, Estefanía; Jover Modrego, Jesús; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
3-Jul-2018Kineticomechanistic study of the redox pH cycling processes occurring on a robust water-soluble cyanido-bridged mixed-valence {CoIII/FeII}2 squareAlcázar, Laura; Bernhardt, Paul V.; Ferrer García, Montserrat; Font Bardia, Ma. Mercedes; Gallen Ortiz, Albert; Jover Modrego, Jesús; Martínez, Manuel; Peters, Jack; Zerk, Timothy J.
3-Sep-2019Computational assessment on the Tolman cone angles for P-ligandsJover Modrego, Jesús; Cirera Fernández, Jordi
21-Jun-2018A Pseudo-Octahedral Cobalt(II) Complex with Bispyrazolylpyridine Ligands Acting as a Zero-Field Single-Molecule Magnet with Easy Axis AnisotropyRigamonti, Luca; Bridonneau, Nathalie; Poneti, Giordano; Tesi, Lorenzo; Sorace, Lorenzo; Pinkowicz, Dawid; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Sessoli, Roberta; Cornia, Andrea
17-May-2018Visible and near-infrared organic photosensitizers comprising isoindigo derivatives as chromophores: synthesis, optoelectronic properties and factors limiting their efficiency in dye solar cellsAumaitre, Cyril; Rodriguez-Seco, Cristina; Jover Modrego, Jesús; Bardagot, Olivier; Caffy, Florent; Kervella, Yann; López Vinent, Núria; Palomares, Emilio; Demadrille, Renaud
21-Jan-2018Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(II) complexSertphon, Darunee; Murray, Keith S.; Phonsri, Wasinee; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Telfer, Shane G.; Alkas, Adil; Harding, Phimphaka; Harding, David J.
21-Nov-2017Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case studyJover Modrego, Jesús
1-Feb-2018Zn(II) Byproduct Enhances the Cu-Catalyzed Cross-Coupling of Bromozinc Difluorophosphonate with Iodobenzoates: A DFT StudyJover Modrego, Jesús
7-Aug-2017Tunable Magnetization Dynamics through Solid-State Ligand Substitution ReactionWang, Long-Fei; Qiu, Jiang-Zhen; Hong, Jun-Yu; Chen, Yan-Cong; Li, Quan-Wen; Jia, Jian-Hua; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Liu, Jun-Liang; Tong, Ming-Liang
16-Feb-2017Diarylplatinum(II) Scaffolds for Kinetic and Mechanistic Studies on the Formation of Platinacycles via an Oxidative Addition/Reductive Elimination/Oxidative Addition SequenceAullón López, Gabriel; Crespo Vicente, Margarita Ma.; Jover Modrego, Jesús; Martínez López, Manuel, 1957-
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 314