 |
 |
|
|
||
|---|---|---|
| hal-01741450v1
Journal articles
Exploration of Uncharted 3PES Territory for [Ru(bpy)3]2+: A New 3MC Minimum Prone to Ligand Loss Photochemistry Inorganic Chemistry, American Chemical Society, 2018, 57, 6, pp.3192-3196. ⟨10.1021/acs.inorgchem.7b03229⟩ |
||
| hal-01873591v1
Journal articles
Revisiting the Vibrational and Optical Properties of P3HT: A Combined Experimental and Theoretical Study Journal of Physical Chemistry A, American Chemical Society, 2018, 122 (32), pp.6532-6545. ⟨10.1021/acs.jpca.8b03814⟩ |
||
| hal-01741478v1
Journal articles
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 Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2018, 137 (37), 11 p. ⟨10.1007/s00214-018-2216-1⟩ |
||
|
|
||