Aplicação da química quântica ao estudo de um grupo de moléculas antihistamínicas H3

Aplicação da química quântica ao estudo de um grupo de moléculas antihistamínicas H3

Nesta tese foi estudado um grupo de 28 compostos não-imidazólicos antagonistas do receptor H3 através de cálculos de orbitais moleculares utilizando os métodos de química quântica Austin Model 1, Hartree-Fock-Roothaan e Teoria do Funcional da Densidade com o objetivo de investigar possíveis relaçõe...

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Bibliographic Details
Main Author:	Costa, Edson Barbosa da
Other Authors:	Trsic, Milan
Format:	Others
Language:	pt
Published:	Biblioteca Digitais de Teses e Dissertações da USP 2010
Subjects:	Antihistaminicos FERMOs H3 antihistamine HCA Molecular orbital Orbital molecular PCA PLS
Online Access:	http://www.teses.usp.br/teses/disponiveis/75/75131/tde-23042010-093424/

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