Quetiapine for schizophrenia

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DFT calculations on quetiapine hemifumarate as a pharmaceutical compound for the treatment of schizophrenia

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Quetiapine Therapy in Treatment-Refractory Schizophrenia

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dft calculations on quetiapine hemifumarate as a pharmaceutical compound for the treatment of schizophrenia

in this work, the optimization calculations were carried out on quetiapine hemifumarat, 4, and its analogues, 1-5. these calculations were carried out using the b3lyp/6-31g(d) level of theory. the dft calculations clarified a boat structure for dibenzothiazepine moiety of the molecule which piperazine moiety has a chair conformation. thermal energies (e), enthalpies (h), and free energies (g) o...

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ژورنال

عنوان ژورنال: Cochrane Database of Systematic Reviews

سال: 2004

ISSN: 1465-1858

DOI: 10.1002/14651858.cd000967.pub2