Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule

The molecule of trans-3,6-dimethoxy-1,2,4-trioxane has been studied by the semiempirical molecular orbital AM1 and PM3 methods. The numerical results of the structural study have been analyzed in terms of several stereoelectronic effects and compared with available experimental data. Theoretical pre...

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Autores principales: Jorge, Nelly, Gómez-Vara, M., Cafferata, Lázaro F. R., Castro, Eduardo Alberto
Formato: Articulo
Lenguaje:Español
Publicado: 2001
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/132985
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SEDICI (UNLP) de Universidad Nacional de La Plata
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institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Español
description The molecule of trans-3,6-dimethoxy-1,2,4-trioxane has been studied by the semiempirical molecular orbital AM1 and PM3 methods. The numerical results of the structural study have been analyzed in terms of several stereoelectronic effects and compared with available experimental data. Theoretical predictions derived from both methods are in a good agreement with each other.
format Articulo
Articulo
author Jorge, Nelly
Gómez-Vara, M.
Cafferata, Lázaro F. R.
Castro, Eduardo Alberto
spellingShingle Jorge, Nelly
Gómez-Vara, M.
Cafferata, Lázaro F. R.
Castro, Eduardo Alberto
Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
author_facet Jorge, Nelly
Gómez-Vara, M.
Cafferata, Lázaro F. R.
Castro, Eduardo Alberto
author_sort Jorge, Nelly
title Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title_short Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title_full Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title_fullStr Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title_full_unstemmed Theoretical Study of the trans-3,6-Dimethoxy-1,2,4-trioxane Molecule
title_sort theoretical study of the trans-3,6-dimethoxy-1,2,4-trioxane molecule
publishDate 2001
url http://sedici.unlp.edu.ar/handle/10915/132985
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AT gomezvaram theoreticalstudyofthetrans36dimethoxy124trioxanemolecule
AT cafferatalazarofr theoreticalstudyofthetrans36dimethoxy124trioxanemolecule
AT castroeduardoalberto theoreticalstudyofthetrans36dimethoxy124trioxanemolecule
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