Browsing by Author Cirera Fernández, Jordi
Showing results 1 to 20 of 20
| Issue Date | Title | Author(s) |
|---|---|---|
| 21-Dec-2021 | Accurate calculation of spin-state energy gaps in Fe(iii) spin-crossover systems using density functional methods | Vidal, Daniel; Cirera Fernández, Jordi; Ribas Ariño, Jordi |
| 19-Jul-2018 | An unprecedented stimuli-controlled single-crystal reversible phase transition of a metal-organic framework and its application to a novel method of guest encapsulation | Tan, Fangchang; Lopez-Periago, Ana; Light, Mark E.; Cirera Fernández, Jordi; Ruiz Sabín, Eliseo; Borras, Alejandro; Teixidor, Francesc; Viñas, Clara; Domingo, Concepción; Giner Planas, José |
| 18-Jun-2020 | Assessment of the SCAN Functional for Spin-State Energies in Spin-Crossover Systems | Cirera Fernández, Jordi; Ruiz Sabín, Eliseo |
| 1-Nov-2018 | Benchmarking density functional methods for calculation of state energies of first row spin-crossover molecules | Cirera Fernández, Jordi; Via Nadal, Mireia; Ruiz Sabín, Eliseo |
| 6-Jul-2020 | Co/Fe(alpha-Alkyl-tpdt)(2) (x-): Alkyl-Substituted Cobalt and Iron Bis-dithiolenethiophenic Complexes | Silva, R. A. L.; Santos, R.; Andrade, M. M.; Santos, I. C.; Coutinho, J. T.; Pereira, L. C. J.; Waerenborgh, J. C.; Vieira, B. J. C.; Cirera Fernández, Jordi; Ruiz Sabín, Eliseo; Almeida, M.; Belo, D. |
| 3-Sep-2019 | Computational assessment on the Tolman cone angles for P-ligands | Jover Modrego, Jesús; Cirera Fernández, Jordi |
| 4-Jul-2019 | Computational Modeling of Transition Temperatures in Spin-Crossover Systems | Cirera Fernández, Jordi; Ruiz Sabín, Eliseo |
| Jun-2019 | Development of a first principles force field for metal-organic [Fe4] cages | Navarro Maestro, Laia |
| 15-Jan-2018 | Electronic and steric control of the spin-crossover behavior in [(Cp-R)(2)Mn] manganocenes | Cirera Fernández, Jordi; Ruiz Sabín, Eliseo |
| 26-Aug-2016 | Electronic structure modulation in an exceptionally stable non-heme nitrosyl iron(II) spin-crossover complex | Pineiro-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. |
| 4-Nov-2022 | Exploring the computational design of anionic spin-crossover systems | Navarro Maestro, Laia; Cirera Fernández, Jordi |
| 1-Jan-2016 | Ferromagnetism in polynuclear systems based on non- linear [(Mn2MnIII)-Mn-II] building blocks | Cirera Fernández, Jordi; Jiang, Yuan; Qin, Lei; Zheng, Yan-Zhen; Li, Guanghua; Wu, Gang; Ruiz Sabín, Eliseo |
| 4-Dec-2006 | Mesures de forma, estereoquímica i estructura electrònica de compostos de metalls de transició | Cirera Fernández, Jordi |
| 19-Aug-2019 | Microwave assisted synthesis of heterometallic 3d-4f M4Ln complexes | Rosado Piquer, Lidia; Dey, S.; Teat, Simon J.; Cirera Fernández, Jordi; Rajaraman, Gopalan; Sañudo Zotes, Eva Carolina |
| 25-Oct-2022 | Molecular memory near room temperature in an iron polyanionic complex | Moneo-Corcuera, Andrea; Nieto-Castro, David; Cirera Fernández, Jordi; Gómez, Verónica; Sanjosé-Orduna, Jesús; Casadevall, Carla; Molnar, Gabor; Bousseksou, Azzedine; Parella, Teodor; Martínez-Agudo, José María; Lloret-Fillol, Julio; Helvia Pérez-Temprano, Mónica; Ruiz Sabín, Eliseo; Galán Mascarós, Jose Ramón Ramón |
| 12-Jun-2021 | Piano-Stool Ruthenium(II) complexes with delayed cytotoxic activity: origin of the lag time | Ràfols Parellada, Laia; Josa, Dana; Aguilà Aviles, David; Barrios Moreno, Leoní Alejandra; Roubeau, Olivier; Cirera Fernández, Jordi; Soto Cerrato, Vanessa; Pérez Tomás, Ricardo E.; Martínez, Manuel; Grabulosa, Arnald; Gámez Enamorado, Patrick |
| 3-May-2018 | Solvation-guided design of fluorescent probes for discrimination of amyloids | Cao, Kevin J.; Elbel, Kristyna M.; Cifelli, Jessica L.; Cirera Fernández, Jordi; Sigurdson, Christina J.; Paesani, Francesco; Theodorakis, Emmanuel A.; Yang, Jerry |
| 14-Sep-2016 | Structure of the Reduced Copper Active Site in Pre-Processed Galactose Oxidase: Ligand Tuning for One-Electron O2 Activation in Cofactor Biogenesis | Cowley, Ryan E.; Cirera Fernández, Jordi; Qayyum, Munzarin F.; Rokhsana, Dalia; Hedman, Britt; Hodgson, Keith O.; Dooley, David M.; Solomon, Edward I. |
| 22-Jul-2015 | Theoretical modeling of two-step spin-crossover transitions in FeII dinuclear systems | Cirera Fernández, Jordi; Ruiz Sabín, Eliseo |
| 17-Feb-2020 | Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state | Vela Llausí, Sergi; Fumanal Quintana, María; Cirera Fernández, Jordi; Ribas Ariño, Jordi |