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[hal-02321896] Application of [Pt(II)(Tetra-Tert-Butylsalophen)] Complex within Organic Devices: Deep Red Emission, Bistable Light-Emitting Diodes and Operational Stability  (31/10/2019)  
[hal-02310866] Using Density Functional Theory Based Methods to Investigate the Photophysics of Polycyclic Aromatic Hydrocarbon Radical Cations: A Benchmark Study on Naphthalene, Pyrene and Perylene Cations  (31/10/2019)  
[hal-01741478] DFT rationalization of the room-temperature luminescence properties of Ru(bpy) 3 2+ and Ru(tpy) 2 2+ : 3MLCT–3MC minimum energy path from NEB calculations and emission spectra from VRES calculations  (31/10/2019)  
[hal-02140286] RASPT2 study of the valence excited states of an iron–porphyrin–carbonyl model complex  (31/10/2019)  
[hal-02128343] Oxidative addition of carbon dioxide into mesoionics  (31/10/2019)  
[hal-02127513] Theoretical Rationalization of the Dual Photophysical Behavior of C60+  (31/10/2019)  
[hal-02098198] Excited state tracking during the relaxation of coordination compounds  (31/10/2019)  
[hal-02048795] Towards integrated multi-sensor platform using dual electrochemical and optical detection for on-site pollutant detection in water  (31/10/2019)  
[hal-01529346] Global optimization of neutral and charged 20- and 55-atom silver and gold clusters at the DFTB level  (01/11/2019)  
[hal-01684087] Linkage Photoisomerization Mechanism in a Photochromic Ruthenium Nitrosyl Complex: New Insights from an MS-CASPT2 Study  (31/10/2019)  
[hal-01666592] A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes  (31/10/2019)  
[hal-01618720] Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes  (31/10/2019)  
[hal-01945031] Reference Energies for Double Excitations  (31/10/2019)  
[hal-01873591] Revisiting the Vibrational and Optical Properties of P3HT: A Combined Experimental and Theoretical Study  (31/10/2019)  
[hal-01861417] Linear and Third-Order Nonlinear Optical Properties of Fe(eta(5)-C5Me5)(kappa(2)-dppe)- and trans-Ru(kappa(2)-dppe)(2)-Alkynyl Complexes Containing 2-Fluorenyl End Groups  (31/10/2019)