BLUE-SHIFTING HYDROGEN BONDS AND SECONDARY INTERACTIONS IN THE C3H6…HCF3, C2H4O…HCF3 AND C2H4S…HCF3 CYCLIC COMPLEXES
In this article, a theoretical study of molecular properties of small cyclic systems is presented. Through the calculations performed at the B3LYP/6-311++G(d,p) level of theory, the optimized geometries of the C3H6-HCF3, C2H4O-HCF3 and C2H4S-HCF3 hydrogen-bonded complexes were determined. By analyzi...
Guardado en:
| Autor principal: | |
|---|---|
| Lenguaje: | English |
| Publicado: |
Sociedad Chilena de Química
2011
|
| Materias: | |
| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072011000100018 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|