A Review of Density Functional Theory (DFT): Methods and Application in Contrast Agents

Uma Aplicação em Agentes de Contraste

Authors

• Mateus Aquino Gonçalves Universidade Federal de Lavras
• William Miguel Borges da Silva Universidade Federal de Lavras

DOI:

https://doi.org/10.36704/cipraxis.v15i30.5333

Keywords:

Computational Chemistry; MRI;

Abstract

The present work shows a literature review about one of the most important methods for computational chemistry, the Density Functional Theory (DFT). Thus, we generally approach the base functions and the exchange and correlation functions. As application of the method, we show some new contrast agents (CA) in Magnetic Resonance Imaging (MRI), as for example, the iron oxides, whichare not toxic to the body and has shown excellent relaxation times (T₁ and T₂).

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