Browsing by Author Cirera Fernández, Jordi

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Showing results 1 to 13 of 13
Issue DateTitleAuthor(s)
19-Jul-2018An unprecedented stimuli-controlled single-crystal reversible phase transition of a metal-organic framework and its application to a novel method of guest encapsulationTan, Fangchang; Lopez-Periago, Ana; Light, Mark E.; Cirera Fernández, Jordi; Ruiz Sabín, Eliseo; Borras, Alejandro; Teixidor, Francesc; Viñas, Clara; Domingo, Concepción; Giner Planas, José
1-Nov-2018Benchmarking density functional methods for calculation of state energies of first row spin-crossover moleculesCirera Fernández, Jordi; Via Nadal, Mireia; Ruiz Sabín, Eliseo
3-Sep-2019Computational assessment on the Tolman cone angles for P-ligandsJover Modrego, Jesús; Cirera Fernández, Jordi
Jun-2019Development of a first principles force field for metal-organic [Fe4] cagesNavarro Maestro, Laia
15-Jan-2018Electronic and steric control of the spin-crossover behavior in [(Cp-R)(2)Mn] manganocenesCirera Fernández, Jordi; Ruiz Sabín, Eliseo
26-Aug-2016Electronic structure modulation in an exceptionally stable non-heme nitrosyl iron(II) spin-crossover complexPineiro-Lopez, Lucia; Ortega-Villar, Norma; Carmen Munoz, M.; Molnar, Gabor; Cirera Fernández, Jordi; Moreno-Esparza, Rafael; Ugalde-Saldivar, Victor M.; Bousseksou, Azzedine; Ruiz Sabín, Eliseo; Real, Jose A.
1-Jan-2016Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocksCirera Fernández, Jordi; Jiang, Yuan; Qin, Lei; Zheng, Yan-Zhen; Li, Guanghua; Wu, Gang; Ruiz Sabín, Eliseo
4-Dec-2006Mesures de forma, estereoquímica i estructura electrònica de compostos de metalls de transicióCirera Fernández, Jordi
19-Aug-2019Microwave assisted synthesis of heterometallic 3d-4f M4Ln complexesRosado Piquer, Lidia; Dey, S.; Teat, Simon J.; Cirera Fernández, Jordi; Rajaraman, Gopalan; Sañudo Zotes, Eva Carolina
3-May-2018Solvation-guided design of fluorescent probes for discrimination of amyloidsCao, Kevin J.; Elbel, Kristyna M.; Cifelli, Jessica L.; Cirera Fernández, Jordi; Sigurdson, Christina J.; Paesani, Francesco; Theodorakis, Emmanuel A.; Yang, Jerry
14-Sep-2016Structure of the Reduced Copper Active Site in Pre-Processed Galactose Oxidase: Ligand Tuning for One-Electron O2 Activation in Cofactor BiogenesisCowley, Ryan E.; Cirera Fernández, Jordi; Qayyum, Munzarin F.; Rokhsana, Dalia; Hedman, Britt; Hodgson, Keith O.; Dooley, David M.; Solomon, Edward I.
22-Jul-2015Theoretical modeling of two-step spin-crossover transitions in FeII dinuclear systemsCirera Fernández, Jordi; Ruiz Sabín, Eliseo
17-Feb-2020Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid stateVela Llausí, Sergi; Fumanal Quintana, María; Cirera Fernández, Jordi; Ribas Ariño, Jordi