Showing results 1 to 20 of 34
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| Issue Date | Title | Author(s) |
| 4-Jun-1998 | An ab initio analytical potential energy surface for the O(3P) + CS(X1Σ+) → CO(X1Σ+) + S(3P) reaction useful for kinetic and dynamical studies | González Pérez, Miguel; Hijazo, J.; Novoa Vide, Juan J.; Sayós Ortega, Ramón |
| 1998 | An analytical representation of the ground potential energy surface (2A') of the H + Cl2 → HCl + Cl and Cl + HCl → HCl + Cl reactions, based on ab initio calculations | González Pérez, Miguel; Hijazo, J.; Novoa Vide, Juan J.; Sayós Ortega, Ramón |
| 15-Nov-1986 | Bases mínimas adaptadas al entorno molecular | Mota Valeri, Fernando |
| 1-Mar-2017 | Bistability in organic magnetic materials: a comparative study of the key differences between hysteretic and non-hysteretic spin transitions in dithiazolyl radicals | Vela Llausí, Sergi; Reardon, Michael B.; Jakobsche, Charles E.; Turnbull, Mark M.; Ribas Ariño, Jordi; Novoa Vide, Juan J. |
| 10-Sep-2014 | Computational Modeling of Molecular Magnetic Materials | Vela Llausí, Sergi |
| 21-Dec-2016 | Computational Study of the Mechanisms that Stabilize Organic Molecule‐Based Magnets | Lafuente Hernández, Mª Pilar |
| 25-Apr-2014 | Diradicals acting through diamagnetic phenylene vinylene bridges: Raman spectroscopy as a probe to characterize spin delocalization | Rodríguez González, Sandra; Nieto-Ortega, Belén; González Cano, Rafael C.; Lloveras, Vega; Novoa Vide, Juan J.; Mota Valeri, Fernando; Vidal Gancedo, José; Rovira i Angulo, Concepció; Veciana, Jaume; Corro, Elena del; Taravillo, Mercedes; Baonza, Valentín G.; López Navarrete, Juan T.; Casado, Juan |
| 18-Nov-2013 | Dividing the Spoils: Role of Pyrazine Ligands and Perchlorate Counterions in the Magnetic Properties of Bis(pyrazine)diperchloratecopper(II), [Cu(pz)<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub> | Vela Llausí, Sergi; Jornet Somoza, Joaquim; Turnbull, Mark M.; Feyerherm, Ralf; Novoa Vide, Juan J.; Deumal i Solé, Mercè |
| 22-Jan-2015 | Dynamical effects on the magnetic properties of dithiazolyl bistable materials | Vela Llausí, Sergi; Deumal i Solé, Mercè; Shiga, Motoyuki; Novoa Vide, Juan J.; Ribas Ariño, Jordi |
| 26-Apr-2004 | Enlace y estereoquímica en compuestos monovalentes de Cu, Ag y Au | Carvajal Barba, M. Àngels |
| 1-Jan-1996 | Estudi teòric d'interaccions intermoleculars en sistemes senzills i cristalls orgànics moleculars | Rovira i Virgili, Carme |
| 3-Nov-1998 | Estudi teòric del magnetisme en cristalls moleculars: mecanismes d'interacció i empaquetament | Deumal i Solé, Mercè |
| 15-Nov-2010 | Estudi Teòric mitjançant Mètodes "Bottom-Up" de la Interacció Magnètica en Sòlids Moleculars | Jornet Somoza, Joaquim |
| 1-Jun-1981 | Estudio teórico de los sistemas moleculares CH5+, CH5 y CH5-. Energía y conformación geométrica de distintos estados estacionarios | Novoa Vide, Juan J. |
| 1-May-2017 | Ferromagnetice exchange in bichloride bridged Cu(II) chains: magnetostructural correlations between ordered and disordered systems | Herringer, Susan N.; Landee, Christopher P.; Turnbull, Mark M.; Ribas Ariño, Jordi; Novoa Vide, Juan J.; Polson, Matthew; Wikaira, Jan L. |
| 2004 | A first-principles analysis of the magnetism of CuII polynuclear coordination complexes: the case of [Cu4(bpy)4(aspartate)2(H2O)3](ClO4)4·2.5H2O | Deumal i Solé, Mercè; Ribas Ariño, Jordi; Robb, Michael A.; Ribas Gispert, Joan; Novoa Vide, Juan J. |
| 2002 | First-principles study of the neutral molecular metal Ni(tmdt)2. | Rovira i Virgili, Carme; Novoa Vide, Juan J.; Mozos Liz, José Luis de los; Ordejón, Pablo; Canadell, Enric, 1950- |
| 1-Nov-2016 | Formation of long, multicenter pi-[TCNE](2)(2-) dimers in solution: solvation and stability assessed through molecular dynamics simulations | Capdevila i Cortada, Marçal; Ribas Ariño, Jordi; Chaumont, Alain; Wipff, Georges; Novoa Vide, Juan J. |
| 1997 | High-Temperature magnetic ordering in a new organic magnet | Palacio, Fernando; Antorrena, Guillermo; Castro, Miguel; Burriel, Ramón; Rawson, Jeremy; Smith, J. Nicholas B.; Bricklebank, Neil; Novoa Vide, Juan J.; Ritter, Clemens |
| 10-Jun-2021 | Insights into the magnetism and phase transitions of organic radical-based materials | Deumal i Solé, Mercè; Vela Llausí, Sergi; Fumanal Quintana, María; Ribas Ariño, Jordi; Novoa Vide, Juan J. |
