First principles theoretical spectroscopy of methylene blue: Between limitations of time-dependent density functional theory approximations and its realistic description in the solvent

Thiago B. De Queiroz*, Erick R. De Figueroa, Maurício D. Coutinho-Neto, Cleiton D. Maciel, Enrico Tapavicza*, Zohreh Hashemi, Linn Leppert

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

14 Citations (Scopus)
231 Downloads (Pure)

Fingerprint

Dive into the research topics of 'First principles theoretical spectroscopy of methylene blue: Between limitations of time-dependent density functional theory approximations and its realistic description in the solvent'. Together they form a unique fingerprint.

Chemistry