Density Functional Theory

Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids. Its use relies not only in the ability to calculate the molecular properties of the species of interest but...

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Detalhes bibliográficos

Formato:	Online
Idioma:	inglês
Publicado em:	IntechOpen 2023
Assuntos:	dft, catalysis, electrochemistry, semiconductor, electrocatalysis, oxides thema EDItEUR::P Mathematics and Science::PH Physics::PHF Materials / States of matter::PHFC Condensed matter physics (liquid state and solid state physics)
Acesso em linha:	ONIX_20231201_9781789851687_1759
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