CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor

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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 latt...

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Autor principal: Giribet, C.G
Otros Autores: De Azúa, M.C.R
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: 2010
Acceso en línea:Registro en Scopus
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100 1 |a Giribet, C.G. 
245 1 0 |a CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor 
260 |c 2010 
270 1 0 |m Giribet, C. G.; Department of Physics, Facultad de Ciencias Exactas y Naturales, University of Buenos Aires, Ciudad Universitaria, Pab. I, (1428) Buenos Aires, Argentina; email: giribet@df.uba.ar 
506 |2 openaire  |e Política editorial 
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520 3 |a 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.  |l eng 
593 |a Department of Physics, Facultad de Ciencias Exactas y Naturales, University of Buenos Aires, Ciudad Universitaria, Pab. I, (1428) Buenos Aires, Argentina 
690 1 0 |a CLASSIFICATION , 
690 1 0 |a COOPERATIVE EFFECTS 
690 1 0 |a ELECTRONIC ORIGIN 
690 1 0 |a GEOMETRIC STRUCTURE 
690 1 0 |a MOLECULAR COMPLEXES 
690 1 0 |a MOLECULAR POLARIZABILITIES 
690 1 0 |a POLARIZABILITIES 
690 1 0 |a POLARIZABILITY TENSOR 
690 1 0 |a TRANSMISSION MECHANISMS 
690 1 0 |a TENSORS 
700 1 |a De Azúa, M.C.R. 
773 0 |d 2010  |g v. 114  |h pp. 1109-1117  |k n. 2  |p J Phys Chem A  |x 10895639  |t Journal of Physical Chemistry A 
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856 4 0 |u https://doi.org/10.1021/jp909221a  |y DOI 
856 4 0 |u https://hdl.handle.net/20.500.12110/paper_10895639_v114_n2_p1109_Giribet  |y Handle 
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