A generalized formalism of the quantum theory of valence and bonding

General definitions of valence, degree of bonding between pairs of atoms, and atomic anisotropy and reactivity are given. They can be applied to closed‐ or open‐shell molecular wave functions (in the semiempirical, quasi or full ab initio SCF levels), as well as to GVB ones. The properties and usefu...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Natiello, Mario Alberto, Reale, Héctor Fernando
Publicado: 1985
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01928651_v6_n2_p108_Natiello
http://hdl.handle.net/20.500.12110/paper_01928651_v6_n2_p108_Natiello
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_01928651_v6_n2_p108_Natiello
record_format dspace
spelling paper:paper_01928651_v6_n2_p108_Natiello2023-06-08T15:20:01Z A generalized formalism of the quantum theory of valence and bonding Natiello, Mario Alberto Reale, Héctor Fernando General definitions of valence, degree of bonding between pairs of atoms, and atomic anisotropy and reactivity are given. They can be applied to closed‐ or open‐shell molecular wave functions (in the semiempirical, quasi or full ab initio SCF levels), as well as to GVB ones. The properties and usefulness of the definitions are discussed as well as their relation to former empirical notions. Examples of their application are also reported. Copyright © 1984 John Wiley & Sons, Inc. Fil:Natiello, M.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Reale, H.F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 1985 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01928651_v6_n2_p108_Natiello http://hdl.handle.net/20.500.12110/paper_01928651_v6_n2_p108_Natiello
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description General definitions of valence, degree of bonding between pairs of atoms, and atomic anisotropy and reactivity are given. They can be applied to closed‐ or open‐shell molecular wave functions (in the semiempirical, quasi or full ab initio SCF levels), as well as to GVB ones. The properties and usefulness of the definitions are discussed as well as their relation to former empirical notions. Examples of their application are also reported. Copyright © 1984 John Wiley & Sons, Inc.
author Natiello, Mario Alberto
Reale, Héctor Fernando
spellingShingle Natiello, Mario Alberto
Reale, Héctor Fernando
A generalized formalism of the quantum theory of valence and bonding
author_facet Natiello, Mario Alberto
Reale, Héctor Fernando
author_sort Natiello, Mario Alberto
title A generalized formalism of the quantum theory of valence and bonding
title_short A generalized formalism of the quantum theory of valence and bonding
title_full A generalized formalism of the quantum theory of valence and bonding
title_fullStr A generalized formalism of the quantum theory of valence and bonding
title_full_unstemmed A generalized formalism of the quantum theory of valence and bonding
title_sort generalized formalism of the quantum theory of valence and bonding
publishDate 1985
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01928651_v6_n2_p108_Natiello
http://hdl.handle.net/20.500.12110/paper_01928651_v6_n2_p108_Natiello
work_keys_str_mv AT natiellomarioalberto ageneralizedformalismofthequantumtheoryofvalenceandbonding
AT realehectorfernando ageneralizedformalismofthequantumtheoryofvalenceandbonding
AT natiellomarioalberto generalizedformalismofthequantumtheoryofvalenceandbonding
AT realehectorfernando generalizedformalismofthequantumtheoryofvalenceandbonding
_version_ 1768543130705985536

Ejemplares similares