0000000001311277
AUTHOR
Adenilson J. Chiquito
showing 5 related works from this author
Computational chemistry meets experiments for explaining the geometry, electronic structure, and optical properties of Ca10V6O25
2018
In this paper, we present a combined experimental and theoretical study to disclose, for the first time, the structural, electronic, and optical properties of Ca10V6O25 crystals. The microwave-assisted hydrothermal (MAH) method has been employed to synthesize these crystals with different morphologies, within a short reaction time at 120 °C. First-principle quantum mechanical calculations have been performed at the density functional theory level to obtain the geometry and electronic properties of Ca10V6O25 crystal in the fundamental and excited electronic states (singlet and triplet). These results, combined with the measurements of X-ray diffraction (XRD) and Rietveld refinements, confirm…
CSD 1851956: Experimental Crystal Structure Determination
2018
Related Article: Mayara Mondego Teixeira, Regiane Cristina de Oliveira, Marisa Carvalho Oliveira, Renan Augusto Pontes Ribeiro, Sergio R. de Lazaro, M��ximo Siu Li, Adenilson J. Chiquito, Lourdes Gracia, Juan Andr��s, Elson Longo|2018|Inorg.Chem.|57|15489|doi:10.1021/acs.inorgchem.8b02807
CSD 1851955: Experimental Crystal Structure Determination
2018
Related Article: Mayara Mondego Teixeira, Regiane Cristina de Oliveira, Marisa Carvalho Oliveira, Renan Augusto Pontes Ribeiro, Sergio R. de Lazaro, M��ximo Siu Li, Adenilson J. Chiquito, Lourdes Gracia, Juan Andr��s, Elson Longo|2018|Inorg.Chem.|57|15489|doi:10.1021/acs.inorgchem.8b02807
CSD 1851954: Experimental Crystal Structure Determination
2018
Related Article: Mayara Mondego Teixeira, Regiane Cristina de Oliveira, Marisa Carvalho Oliveira, Renan Augusto Pontes Ribeiro, Sergio R. de Lazaro, M��ximo Siu Li, Adenilson J. Chiquito, Lourdes Gracia, Juan Andr��s, Elson Longo|2018|Inorg.Chem.|57|15489|doi:10.1021/acs.inorgchem.8b02807
CSD 1851953: Experimental Crystal Structure Determination
2018
Related Article: Mayara Mondego Teixeira, Regiane Cristina de Oliveira, Marisa Carvalho Oliveira, Renan Augusto Pontes Ribeiro, Sergio R. de Lazaro, M��ximo Siu Li, Adenilson J. Chiquito, Lourdes Gracia, Juan Andr��s, Elson Longo|2018|Inorg.Chem.|57|15489|doi:10.1021/acs.inorgchem.8b02807