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Abstract:

The cooperative effects on the polarizability tensor are analyzed by means of the IPPP - CLOPPA approach. The decomposition of the polarizability allows classifying these effects in those due to changes in the geometric structure and those that directly involve the transmission mechanisms. This latter contribution admits a further classification, taking into account its electronic origin. As suitable examples, cooperative effects on the polarizability tensor of linear complexes (CNH)N and (H2O)N (N = 2, 3, 4) are discussed. © 2010 American Chemical Society.

Registro:

Documento: Artículo
Título:CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor
Autor:Giribet, C.G.; De Azúa, M.C.R.
Filiación:Department of Physics, Facultad de Ciencias Exactas y Naturales, University of Buenos Aires, Ciudad Universitaria, Pab. I, (1428) Buenos Aires, Argentina
Palabras clave:Classification ,; Cooperative effects; Electronic origin; Geometric structure; Molecular complexes; Molecular polarizabilities; Polarizabilities; Polarizability tensor; Transmission mechanisms; Tensors
Año:2010
Volumen:114
Número:2
Página de inicio:1109
Página de fin:1117
DOI: http://dx.doi.org/10.1021/jp909221a
Título revista:Journal of Physical Chemistry A
Título revista abreviado:J Phys Chem A
ISSN:10895639
CODEN:JPCAF
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895639_v114_n2_p1109_Giribet

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Citas:

---------- APA ----------
Giribet, C.G. & De Azúa, M.C.R. (2010) . CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor. Journal of Physical Chemistry A, 114(2), 1109-1117.
http://dx.doi.org/10.1021/jp909221a
---------- CHICAGO ----------
Giribet, C.G., De Azúa, M.C.R. "CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor" . Journal of Physical Chemistry A 114, no. 2 (2010) : 1109-1117.
http://dx.doi.org/10.1021/jp909221a
---------- MLA ----------
Giribet, C.G., De Azúa, M.C.R. "CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor" . Journal of Physical Chemistry A, vol. 114, no. 2, 2010, pp. 1109-1117.
http://dx.doi.org/10.1021/jp909221a
---------- VANCOUVER ----------
Giribet, C.G., De Azúa, M.C.R. CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor. J Phys Chem A. 2010;114(2):1109-1117.
http://dx.doi.org/10.1021/jp909221a