Application of long-range-corrected density functional in zinc porphyrin for dye-sensitized solar cells
Advanced Materials Research, ISSN: 1022-6680, Vol: 322, Page: 120-124
2011
- 5Citations
- 7Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
Citation Benchmarking is provided by Scopus and SciVal and is different from the metrics context provided by PlumX Metrics.
Conference Paper Description
In this work, we applied quantum chemical techniques (DFT and TD-DFT) to assess level of theory is appropriate for calculating the ground-and excited-state structures of ZnP. The result of geometrical optimization of ZnP demonstrates that wB97XD can be an excellent method giving similar results with the experiment. However for TD-DFT calculations, TD-LC-wPBE/6-31G* was needed to replicate the optical transitions in toluene solution. © (2011) Trans Tech Publications, Switzerland.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=80052984609&origin=inward; http://dx.doi.org/10.4028/www.scientific.net/amr.322.120; https://www.scientific.net/AMR.322.120; https://www.scientific.net/AMR.322.120.pdf; http://www.scientific.net/AMR.322.120; http://www.scientific.net/AMR.322.120.pdf; https://dx.doi.org/10.4028/www.scientific.net/amr.322.120
Trans Tech Publications, Ltd.
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