Theoretical determination of molecular structure. Conformation of some benzo[10]-annulenes and [10]-annulene |
| |
| Authors: | Jose Ma Hernando-Huelmo Ma Jesús Rioseras-García |
| |
| Affiliation: | (1) Departamento de Quimica Fisica, Universidad de Valladolid, E-47005 Valladolid, España |
| |
| Abstract: | Summary The AM1 method was used to carry out a theoretical study of optimized geometries and energies of some benzoannulenes. The transition state of the transformation of the benzo[10]annulene was also determined. The transition state has been located. |
| |
| Keywords: | Benzoannulenes Conformation AM1 Transition states |
| 本文献已被 SpringerLink 等数据库收录！ |
