First-generation antipsychotic haloperidol: optical absorption measurement and structural, electronic, and optical properties of its anhydrous monoclinic crystal by first-principle approaches

Author:

Zanatta Geancarlo123ORCID,da Silva Mauricélio Bezerra123,A. da Silva José J.453,dos Santos Regina C. R.673ORCID,Sales Francisco A. M.89103,Gottfried Carmem11123,S. Caetano Ewerton W.89133ORCID,Freire Valder N.123

Affiliation:

1. Department of Physics at Federal University of Ceará

2. 60455-760 Fortaleza

3. Brazil

4. Federal Rural University of the Semi-arid

5. Caraúbas

6. Department of Analytical Chemistry and Physical Chemistry at Federal University of Ceará

7. 60440-554 Fortaleza

8. Federal Institute of Education

9. Science and Technology

10. 62800-000 Aracati

11. Federal University of Rio Grande do Sul

12. Porto Alegre

13. 60040-531 Fortaleza

Abstract

Application of the Density Functional Theory for the structural, electronic and optical properties of haloperidol crystal.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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