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

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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Autores principales: Giribet, C.G., De Azúa, M.C.R.
Formato: JOUR
Materias:
Classification ,
Cooperative effects
Electronic origin
Geometric structure
Molecular complexes
Molecular polarizabilities
Polarizabilities
Polarizability tensor
Transmission mechanisms
Tensors
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_10895639_v114_n2_p1109_Giribet
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_10895639_v114_n2_p1109_Giribet2023-10-03T16:04:41Z CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor Giribet, C.G. De Azúa, M.C.R. Classification , Cooperative effects Electronic origin Geometric structure Molecular complexes Molecular polarizabilities Polarizabilities Polarizability tensor Transmission mechanisms Tensors 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. Fil:Giribet, C.G. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_10895639_v114_n2_p1109_Giribet
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Classification ,
Cooperative effects
Electronic origin
Geometric structure
Molecular complexes
Molecular polarizabilities
Polarizabilities
Polarizability tensor
Transmission mechanisms
Tensors
spellingShingle Classification ,
Cooperative effects
Electronic origin
Geometric structure
Molecular complexes
Molecular polarizabilities
Polarizabilities
Polarizability tensor
Transmission mechanisms
Tensors
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
topic_facet Classification ,
Cooperative effects
Electronic origin
Geometric structure
Molecular complexes
Molecular polarizabilities
Polarizabilities
Polarizability tensor
Transmission mechanisms
Tensors
description 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.
format JOUR
author Giribet, C.G.
De Azúa, M.C.R.
author_facet Giribet, C.G.
De Azúa, M.C.R.
author_sort Giribet, C.G.
title CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor
title_short CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor
title_full CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor
title_fullStr CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor
title_full_unstemmed CLOPPA - IPPP Analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor
title_sort cloppa - ippp analysis of cooperative effects in h-bonded molecular complexes. 2. application to the static molecular polarizability tensor
url http://hdl.handle.net/20.500.12110/paper_10895639_v114_n2_p1109_Giribet
work_keys_str_mv AT giribetcg cloppaipppanalysisofcooperativeeffectsinhbondedmolecularcomplexes2applicationtothestaticmolecularpolarizabilitytensor
AT deazuamcr cloppaipppanalysisofcooperativeeffectsinhbondedmolecularcomplexes2applicationtothestaticmolecularpolarizabilitytensor
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