New evidence for through-space transmission of substituent effects in benzene derivatives
Electrostatic interaction energies between dipolar substituents and dipolar or charged reaction sites are re-examined. At short interaction distances and given orientations, the point-dipole approximation is shown to introduce important errors. Exact expressions are derived for correcting current eq...
| Autor principal: | |
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| Outros Autores: | , |
| Formato: | article |
| Idioma: | eng |
| Publicado em: |
2015
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| Assuntos: | |
| Texto completo: | http://hdl.handle.net/10451/20874 |
| País: | Portugal |
| Oai: | oai:repositorio.ul.pt:10451/20874 |