Abstract:
This article states the concept of covalent bond order for open-shell systems from the invariance properties of the first- and second-order reduced density matrices for all the components of a multiplet state. A general bond order definition is formulated in the framework of the electronic population analyses in the Hilbert space of atomic orbitals. © the Owner Societies.
Registro:
Documento: |
Artículo
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Título: | Covalent bond orders revisited: The open-shell case |
Autor: | Alcoba, D.R.; Bochicchio, R.C.; Lain, L.; Torre, A. |
Filiación: | Departamento de Física, Facultad de Ciencias Exactas Y Naturales, Ciudad Universitaria, Buenos Aires, 1428, Argentina Departamento de Química Física, Facultad de Ciencias, Universidad del País Vasco, Apdo, 644, E-48080 Bilbao, Spain
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Año: | 2008
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Volumen: | 10
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Número: | 33
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Página de inicio: | 5144
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Página de fin: | 5146
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DOI: |
http://dx.doi.org/10.1039/b806268d |
Título revista: | Physical Chemistry Chemical Physics
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Título revista abreviado: | Phys. Chem. Chem. Phys.
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ISSN: | 14639076
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CODEN: | PPCPF
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14639076_v10_n33_p5144_Alcoba |
Referencias:
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Citas:
---------- APA ----------
Alcoba, D.R., Bochicchio, R.C., Lain, L. & Torre, A.
(2008)
. Covalent bond orders revisited: The open-shell case. Physical Chemistry Chemical Physics, 10(33), 5144-5146.
http://dx.doi.org/10.1039/b806268d---------- CHICAGO ----------
Alcoba, D.R., Bochicchio, R.C., Lain, L., Torre, A.
"Covalent bond orders revisited: The open-shell case"
. Physical Chemistry Chemical Physics 10, no. 33
(2008) : 5144-5146.
http://dx.doi.org/10.1039/b806268d---------- MLA ----------
Alcoba, D.R., Bochicchio, R.C., Lain, L., Torre, A.
"Covalent bond orders revisited: The open-shell case"
. Physical Chemistry Chemical Physics, vol. 10, no. 33, 2008, pp. 5144-5146.
http://dx.doi.org/10.1039/b806268d---------- VANCOUVER ----------
Alcoba, D.R., Bochicchio, R.C., Lain, L., Torre, A. Covalent bond orders revisited: The open-shell case. Phys. Chem. Chem. Phys. 2008;10(33):5144-5146.
http://dx.doi.org/10.1039/b806268d