Derniers dépôts, tout type de documents (flux)

[hal-01622130] Theoretical illumination of highly original photoreactive 3MC states and the mechanism of the photochemistry of Ru(II) tris(bidentate) complexes  (25/10/17)  
[hal-01619643] Electrochemical control of the switching process of photochromic dimethyldihydropyrene derivatives  (20/10/17)  
[hal-01618720] Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes  (19/10/17)  
[hal-01534790] Investigation of a sterically hindered Pt(II) complex to avoid aggregation-induced quenching: Applications in deep red electroluminescent and electrical switching devices  (09/06/17)  
[hal-01529346] Global optimization of neutral and charged 20- and 55-atom silver and gold clusters at the DFTB level  (09/10/17)  
[hal-01527298] Efficient Photoswitch System Combining a Dimethyldihydropyrene Pyridinium Core and Ruthenium(II) Bis-Terpyridine Entities  (19/10/17)  
[hal-01510461] Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex  (20/04/17)  
[tel-01402497] Theoretical Study of New Nitrosyl Ruthenium Complexes: Mechanisms of Photoisomerization and Photorelease of NO  (30/11/16)  
[hal-01396539] Theoretical mechanistic study of self-sensitized photo-oxygenation and singlet oxygen thermal release in a dimethyldihydropyrene derivative  (20/02/17)  
[hal-01396525] Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes?  (15/11/16)  
[hal-01396518] Self-assembled dimethyldihydropyrene-pyridyl substituted ligands with zinc(II) meso-tetraphenylporphyrin via axial coordination  (20/10/17)  
[hal-01381831] Synthesis of benzothiadiazole-based molecules via direct arylation: an eco-friendly way of obtaining small semi-conducting organic molecules  (27/04/17)  
[hal-01362058] Thermolysis biradical mechanisms in endoperoxides: A challenge for density functional theory?  (09/09/16)  
[hal-01343979] Combined theoretical and experimental studies of P3HT and PTB7 polymers for organic photodiodes  (10/01/17)  
[hal-01331155] Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes  (14/06/16)