Computational study B3LYP interaction of molecular hydrogen [H<sub>2</sub>] with <em>rccc</em> R-Pyg [4]arenes [R = methyl, fluoride] functionalized with Li<sup>+</sup>
<p>The interaction of molecular hydrogen [H<sub>2</sub>] with methyl- and fluoride-substituted <em>rccc</em> pirogallol[4]arenes functionalized with Li<sup>+</sup> cations [Li-R-Pyg[4]Ar] was theoretically studied by means of DFT quantum-mechanical calculati...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidad San Francisco de Quito
2011-12-01
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| Series: | ACI Avances en Ciencias e Ingenierías |
| Subjects: | |
| Online Access: | http://revistas.usfq.edu.ec/index.php/avances/article/view/66 |