Modeling of alkynes: synthesis and theoretical properties
In this paper we present the synthesis and simulation of alkynes derivatives. Semiempirical calculations were carried out for the ground and first excited states, including the spectroscopic properties of the absorption and emission (fluorescence and phosphorescence) spectra by INDO/S-CI and DNdM-IN...
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| Outros Autores: | , |
| Formato: | article |
| Idioma: | eng |
| Publicado em: |
2003
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| Texto completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392003000300007 |
| País: | Brasil |
| Oai: | oai:scielo:S1516-14392003000300007 |