ACS Omega
(Apr 2019)
Methodological Survey of Simplified TD-DFT Methods for Fast and Accurate Interpretation of UV–Vis–NIR Spectra of Phthalocyanines
- Alexander G. Martynov,
- John Mack,
- Aviwe K. May,
- Tebello Nyokong,
- Yulia G. Gorbunova,
- Aslan Yu Tsivadze
Affiliations
- Alexander G. Martynov
- A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia
- John Mack
- Institute for Nanotechnology Innovation, Department of Chemistry, Rhodes University, Makhanda, South Africa
- Aviwe K. May
- Institute for Nanotechnology Innovation, Department of Chemistry, Rhodes University, Makhanda, South Africa
- Tebello Nyokong
- Institute for Nanotechnology Innovation, Department of Chemistry, Rhodes University, Makhanda, South Africa
- Yulia G. Gorbunova
- A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia
- Aslan Yu Tsivadze
- A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia
- DOI
-
https://doi.org/10.1021/acsomega.8b03500
- Journal volume & issue
-
Vol. 4,
no. 4
pp.
7265
– 7284
WeChat QR code