ArticleJournal of molecular modeling2019
Theoretical study on reaction mechanism of synthesis of iridium complexes having cyclometalated acyclic diaminocarbene ancillary ligands.
Article in Journal of molecular modeling, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
3 citing papers in PubMed.
- On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine.Chemical science · 2026Article
- DFT study on the synthesis of trifluoroacetophenone from palladium complex LJournal of molecular modeling · 2022Article
- Theoretical study of rhodium(III)-catalyzed synthesis of benzoxepine and coumarin.Journal of molecular modeling · 2020Article
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Authors and funding
3 authors.
Funding
Abstract
DFT calculations at the M06-2X level were performed to explore the reaction mechanism for the synthesis of the new cyclometalated iridium(III) complexes with acyclic diaminocarbene ancillary ligands. The solvent effects of the reaction systems have been considered by a single-point energy calculation using the SMD model in the experimental conditions of CH
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Registered trials
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