@article{soupart:hal-01741478,
  TITLE = {{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}},
  AUTHOR = {Soupart, Adrien and Dixon, Isabelle M. and Alary, Fabienne and Heully, Jean-Louis},
  URL = {https://hal.archives-ouvertes.fr/hal-01741478},
  NOTE = {Published as part of the special collection of articles ``CHITEL 2017-Paris-France''.},
  JOURNAL = {{Theoretical Chemistry Accounts: Theory, Computation, and Modeling}},
  PUBLISHER = {{Springer Verlag}},
  VOLUME = {137},
  NUMBER = {37},
  PAGES = {11 pages},
  YEAR = {2018},
  MONTH = Mar,
  DOI = {10.1007/s00214-018-2216-1},
  PDF = {https://hal.archives-ouvertes.fr/hal-01741478/file/2018_TCAC_37.pdf},
  HAL_ID = {hal-01741478},
  HAL_VERSION = {v1},
}