1. Dipòsit Digital de la Universitat de Barcelona

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Results 1-10 of 24 (Search time: 0.051 seconds).
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Issue DateTitleAuthor(s)
28-Dec-2015Copper-catalyzed Eglinton oxidative homocoupling of terminal alkynes: a computational studyJover Modrego, Jesús
22-Oct-2019Computational exploration of NO single-site disproportionation on Fe-MOF-5Jover Modrego, Jesús; Brozek, Carl K.; Dincă, Mircea; López, Núria (López Alonso)
12-Sep-2017Quantitative estimation of ising-type magnetic anisotropy in a family of C-3-symmetric Co-II complexesMondal, Amit Kumar; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Konar, Sanjit
23-Oct-2018Single-ion magnetic anisotropy in a vacant octahedral Co(II) complexMondal, Amit Kumar; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Konar, Sanjit
21-Nov-2017Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case 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
3-Sep-2019Computational assessment on the Tolman cone angles for P-ligandsJover Modrego, Jesús; Cirera Fernández, Jordi
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
2016The Interplay between Homogeneous and Heterogeneous Phases of PdAu Catalysts for the Oxidation of AlcoholsJover Modrego, Jesús; García-Ratés, Sara; López, Núria (López Alonso)
15-Oct-2016Antiferro- to ferromagnetic crossover in diphenoxido bridged (Ni2MnII)-Mn-II complexes derived from N2O2 donor Schiff base ligandsSeth, Piya; Figuerola i Silvestre, Albert; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Ghosh, Ashutosh

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