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| Issue Date | Title | Author(s) |
|---|---|---|
| 17-Jan-2018 | A Multistep docking and scoring protocol for congeneric series: Implementation on kinase DFG-out type II inhibitors | Granadino Roldán, José M.; Garzón, Andrés; Gómez Gutiérrez, Patrícia; Pasamontes Funes, Ignacio; Tomás Belenguer, Maria Santos; Rubio Martínez, Jaime |
| 5-Apr-2018 | Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes | Costa Sala, Ramon; Reta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 12-Nov-2018 | Effects of temperature on the shape and symmetry of molecules and solids | Carreras Conill, Abel; Bernuz, Efrem; Marugan, Xavier; Llunell Marí, Miquel; Alemany i Cahner, Pere |
| 14-Feb-2018 | Evaluation of novel platinum(II) based AIE compound-encapsulated mesoporous silica nanoparticles for cancer theranostic application | Pasha, Sheik Saleem; Fageria, Leena; Climent Biescas, Claudia; Rath, Nigam P.; Alemany i Cahner, Pere; Chowdhury, Rajdeep; Roy, Aniruddha; Laskar, Inamur Rahaman |
| 5-Dec-2018 | Towards a theory of mechanochemistry. From the very beginnings | Quapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi |
| 7-May-2018 | Towards an efficient transition state and reaction path searching algorithm based on gentlest ascent dynamics and the shrinking dimer methods | Albareda, Guillermo; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Quapp, Wolfgang; Rubio Martínez, Jaime |
| 30-Oct-2018 | Modeling and subtleties of K-Ras and Calmodulin interaction | Garrido, Eduardo; Lázaro, Juan; Jaumot i Pijoan, Montserrat; Agell i Jané, Neus; Rubio Martínez, Jaime |
| 4-Apr-2018 | κ-(BEDT-TTF)2Cu2(CN)3 spin liquid : beyond the average structure | Foury-Leylekian, Pascale; Ilakovac, Vita; Balédent, Victor; Fertey, Pierre; Arakcheeva, Alla; Milat, Ognjen; Petermann, Denis; Guillier, Gilles; Miyagawa, Kazuya; Kanoda, Kazushi; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Tomic, Silvia; Pouget, Jean-Paul |
| 24-Jul-2018 | Element-Selective Molecular Charge Transport Characteristics of Binuclear Copper(II)-Lanthanide(III) Complexes | Schmitz, Sebastian; Kovalchuk, Andrew; Martín Rodríguez, Alejandro; van Leusen, Jan; Izarova, Natalya V.; Bourone, Svenja D. M.; Ai, Yong; Ruiz Sabín, Eliseo; Chiechi, Ryan C.; Kögerler, Paul; Monakhov, Kirill Yu. |
| 7-Jun-2018 | Donor-anion interactions in quarter-filled low-dimensional organic conductors | Pouget, Jean-Paul; Alemany i Cahner, Pere; Canadell, Enric, 1950- |