Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds

The results of a theoretical study on the structure of some diborane(4) compounds are presented in order to analyze the ralative stabilities of the 1,1- and 1,2-isomers. Using the molecular mechanics method, characteristic distances and angles have been calculated and compared with available experim...

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Detalles Bibliográficos
Autores principales:	Rendtorff Birrer, Nicolás Maximiliano, Castro, Eduardo Alberto
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	2003
Materias:	Ciencias Exactas Química Experimental Data Molecular Mechanic Mechanics Study Satisfactory Agreement Mechanic Method
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/135010
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

id	I19-R120-10915-135010
record_format	dspace
institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Ciencias Exactas Química Experimental Data Molecular Mechanic Mechanics Study Satisfactory Agreement Mechanic Method
spellingShingle	Ciencias Exactas Química Experimental Data Molecular Mechanic Mechanics Study Satisfactory Agreement Mechanic Method Rendtorff Birrer, Nicolás Maximiliano Castro, Eduardo Alberto Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds
topic_facet	Ciencias Exactas Química Experimental Data Molecular Mechanic Mechanics Study Satisfactory Agreement Mechanic Method
description	The results of a theoretical study on the structure of some diborane(4) compounds are presented in order to analyze the ralative stabilities of the 1,1- and 1,2-isomers. Using the molecular mechanics method, characteristic distances and angles have been calculated and compared with available experimental data. In order to rationalize the results, different energy components are discussed in a comparative fashion. A fairly satisfactory agreement between the theoretical and experimental data have been found. Some possible extensions are pointed out to complement this kind of analysis.
format	Articulo Articulo
author	Rendtorff Birrer, Nicolás Maximiliano Castro, Eduardo Alberto
author_facet	Rendtorff Birrer, Nicolás Maximiliano Castro, Eduardo Alberto
author_sort	Rendtorff Birrer, Nicolás Maximiliano
title	Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds
title_short	Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds
title_full	Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds
title_fullStr	Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds
title_full_unstemmed	Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds
title_sort	molecular mechanics study of cyclic and unsymmetrical diborane(4) compounds
publishDate	2003
url	http://sedici.unlp.edu.ar/handle/10915/135010
work_keys_str_mv	AT rendtorffbirrernicolasmaximiliano molecularmechanicsstudyofcyclicandunsymmetricaldiborane4compounds AT castroeduardoalberto molecularmechanicsstudyofcyclicandunsymmetricaldiborane4compounds
bdutipo_str	Repositorios
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Molecular Mechanics Study of Cyclic and Unsymmetrical Diborane(4) Compounds

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