DFT calculations of the structural, electronic, optical and vibrational properties of anhydrous orthorhombic L-threonine crystals
The structural, electronic, optical, vibrational and thermodynamic properties of the anhydrous orthorhombic L-threonine crystals are investigated by ab initio simulation using a pseudopotential approach within the density functional theory (DFT) method. We have considered both the generalized gradie...
Na minha lista:
Principais autores: | , , , , , |
---|---|
Formato: | article |
Idioma: | English |
Publicado em: |
Elsevier
|
Assuntos: | |
Endereço do item: | https://repositorio.ufrn.br/jspui/handle/123456789/29916 |
Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|