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| Issue Date | Title | Author(s) |
|---|---|---|
| Apr-2018 | Mechanochemistry on the müller-brown surface | Quapp, Wolfgang; Bofill i Villà, Josep M. |
| 10-Sep-2018 | Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks | Sahadevan, Suchithra; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galan-Mascaros, José Ramón; Waerenborgh, João C.; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Mercuri, Maria Laura; Avarvari, Narcis |
| 18-Jan-2018 | Matildite Contact with Media: First-Principles Study of AgBiS2 Surfaces and Nanoparticle Morphology | Viñes Solana, Francesc; Konstantatos, Gerasimos; Illas i Riera, Francesc |
| 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 |