Polarizabilidades e primeira hiperpolarizabilidades elétricas dipolares de ésteres E-4-amino-trans-1,3-butadienil-(1',2'-di-hidroxibenzeno) de boro, alumínio e gálio Dipole polarizabilities and first hyperpolarizabilities of E-4-amine-trans-1,3-butadienyl-(1',2'-dihydroxibenzene) esters of boron, aluminum and gallium

Polarizabilidades e primeira hiperpolarizabilidades elétricas dipolares de ésteres E-4-amino-trans-1,3-butadienil-(1',2'-di-hidroxibenzeno) de boro, alumínio e gálio Dipole polarizabilities and first hyperpolarizabilities of E-4-amine-trans-1,3-butadienyl-(1',2'-dihydroxibenzene) esters of boron, aluminum and gallium

<abstract language="eng">Static electric dipole polarizabilities and first hyperpolarizabilites have been calculated for the title molecules and their 3' and 4'-nitro derivatives at ab-initio Hartree- Fock/6-31G(d, p) level. The influence of the pivotal p vacant 3A elements...

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Bibliographic Details
Main Authors: Márcia Barsottelli Procópio, Amary Cesar
Format: Article
Language:English
Published: Sociedade Brasileira de Química 2009-01-01
Series:Química Nova
Subjects:
dipole (hyper)polarizabilities
boronates
aluminates and galiates
Hartree-Fock calculations
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422009000500014

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http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422009000500014

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