Solvent effect on ternary complexes formed by epoxy and hydrofluoric acid
The solvent effect on derivatives of the C2H4O∙∙∙HF∙∙∙HF ternary complex was investigated through the PCM approach and AGOA calculations at the B3LYP/6-311++G(d,p) level of theory. The continuous analysis was useful to verify the profiles of the hydrogen bond distances in the complex, sp...
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| Format: | Article |
| Language: | English |
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Serbian Chemical Society
2015-01-01
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| Series: | Journal of the Serbian Chemical Society |
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| Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2015/0352-51391500002O.pdf |