Browsing by Author Jover Modrego, Jesús

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Issue DateTitleAuthor(s)
2015A combined kinetico-mechanistic and computational study on the competitive formation of seven- versus five-membered platinacycles; the relevance of spectator halide ligandsAullón López, Gabriel; Crespo Vicente, Margarita Ma.; Font Bardia, Ma. Mercedes; Jover Modrego, Jesús; Martínez López, Manuel, 1957-; Pike, J.
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
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
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
29-Feb-2008Aplicació de la metodologia QSPR al càlcul de propietats de compostos inorgànics i de sistemes multicomponentsJover Modrego, Jesús
11-May-2017Bifunctional tripeptide with a phosphonic acid as a bronsted acid for Michael addition: mechanistic insightsCortes-Clerget, Margery; Jover Modrego, Jesús; Dussart, Jade; Kolodziej, Emilie; Monteil, Maelle; Migianu-Griffoni, Evelyne; Gager, Olivier; Deschamp, Julia; Lecouvey, Marc
3-Sep-2019Computational assessment on the Tolman cone angles for P-ligandsJover Modrego, Jesús; Cirera Fernández, Jordi
22-Oct-2019Computational exploration of NO single-site disproportionation on Fe-MOF-5Jover Modrego, Jesús; Brozek, Carl K.; Dincă, Mircea; López, Núria (López Alonso)
28-Dec-2015Copper-catalyzed Eglinton oxidative homocoupling of terminal alkynes: a computational studyJover Modrego, Jesús
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-
2-Sep-2014Ferro- to antiferromagnetic crossover angle in diphenoxido- and carboxylato-bridged trinuclear Ni(II)2-Mn(II) complexes: experimental observations and theoretical rationalizationSeth, Piya; Figuerola i Silvestre, Albert; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Ghosh, Ashutosh
11-May-2017Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal Co-II single ion magnetsMondal, Amit Kumar; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Konar, Sanjit
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 López, Manuel, 1957-; Peters, Jack; Zerk, Timothy J.
8-Dec-2015Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+Escriche Tur, Luis; Jover Modrego, Jesús; Font Bardia, Ma. Mercedes; Aullón López, Gabriel; Corbella i Cordomí, Montserrat
2016Mechanistic investigation of iridium-catalyzed C-H borylation of methyl benzoate: Ligand effects in regioselectivity and activityJover Modrego, Jesús; Maseras Cuní, Feliu
3-Sep-2015Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloadditionWang, Long-Fei; Chen, Yan-Cong; Liu, Jun-Liang; Li, Quan-Wen; Hong, Jun-Yu; Jia, Jian-Hua; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Tong, Ming-Liang
18-Sep-2019Nickel-catalyzed aryl trifluoromethyl sulfides synthesis: A DFT studyJover Modrego, Jesús
2016QM/MM calculations on selectivity in homogeneous catalysisJover Modrego, Jesús; Maseras Cuní, Feliu
21-Nov-2017Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case studyJover Modrego, Jesús
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