Ground and excited states of zinc phthalocyanine, zinc tetrabenzoporphyrin, and azaporphyrin analogs using DFT and TDDFT with Franck-Condon analysis
Author:
Affiliation:
1. Material Science and Engineering Program, Arizona State University, Tempe, Arizona 85287, USA
Funder
XSEDE and SDSC for a computational grant on Trestles
National Science Foundation (NSF)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4913757
Reference69 articles.
1. 212. Phthalocyanines. Part I. A new type of synthetic colouring matters
2. 214. Phthalocyanines. Part III. Preliminary experiments on the preparation of phthalocyanines from phthalonitrile
3. 217. Phthalocyanines. Part VI. The structure of the phthalocyanines
4. A density functional theory study of the correlation between analyte basicity, ZnPc adsorption strength, and sensor response
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