Theoretical calculations of chemical interactions. Part 5. 1,1 -disubstituted 2,4,6-trinitrocyclohexadienylide ('meisenheimer') complexes
All-valence-electron MNDO SCF-MO calculations with almost complete geometry optimization have been performed on 1,1-dimethoxy-2,4,6- trinitrocyclohexadienylide. The computed geometrical parameters have been compared with X-ray data. Charge distributions have been calculated for this complex and for...
Guardado en:
| Autores principales: | Nudelman, N.S., MacCormack, P. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_1472779X_v_n2_p227_Nudelman |
| Aporte de: |
Ejemplares similares
-
Theoretical calculations of chemical interactions. Part 5. 1,1 -disubstituted 2,4,6-trinitrocyclohexadienylide ('meisenheimer') complexes
Publicado: (1987) -
Theoretical calculations of chemical interactions-111. The reaction of halonitrobenzenes with nucleophiles
por: Nudelman, N.S., et al. -
Theoretical Studies of Chemical Interactions. Ab Initio Calculations on Lithium Dialkylamides and Their Carbonylation Reactions
por: Viruela-Martin, P., et al. -
Theoretical calculations of chemical interactions. Part 4. Aromatic nucleophilic substitutions and SN2 reactions of 4- and 6-substituted 2-nitroanisoles
por: Nudelman, N.S., et al. -
Theoretical calculations of chemical interactions. Part 6. An MNDO study of the intermediates involved in CO insertion into lithium-nitrogen bonds in lithium dialkylamides
por: Nudelman, N.S., et al.