DFT calculations of the structural, electronic, optical and vibrational properties of anhydrous orthorhombic L-threonine crystals

Araújo, Roniel de LimaVasconcelos, Manoel Silva deBarboza, Carlos AntonioLima Neto, José Xavier deAlbuquerque, Eudenilson Lins deFulco, Umberto Laino2020-09-012020-09-012019ARAÚJO, Roniel L.; VASCONCELOS, Manoel S.; BARBOZA, Carlos A.; LIMA NETO, José X.; ALBUQUERQUE, Eudenilson L.; FULCO, Umberto L.. DFT calculations of the structural, electronic, optical and vibrational properties of anhydrous orthorhombic L-threonine crystals. Computational and Theoretical Chemistry, [s.l.], v. 1170, p. 112621, dez. 2019. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S2210271X19303172?via%3Dihub. Acesso em: 27 ago. 2020. http://dx.doi.org/10.1016/j.comptc.2019.112621.2210-271Xhttps://repositorio.ufrn.br/jspui/handle/123456789/29916DFTAnhydrous orthorhombic L-threonineElectronic propertiesOptical propertiesVibrational propertiesDFT calculations of the structural, electronic, optical and vibrational properties of anhydrous orthorhombic L-threonine crystalsarticle10.1016/j.comptc.2019.112621.