electronic

Ru-dimethyl sulfoxide complexes as catalysts precursors for ROMP of norbornene and ATRP of methyl methacrylate

24 de fevereiro de 2017 CDMF 0

Writers: Patricia Borim and Benedito S. Lima-Neto and Beatriz E. Goi and Valdemiro P. Carvalho Jr. Keywords: Ruthenium; dmso; ATRP; ROMP; Norbornene; Methyl methacrylate Abstract: The catalytic activity of the five-coordinated [RuCl2(PPh3)(S-dmso)2] complex was investigated for ring-opening […]

Periodic density functional theory study of structural and electronic properties of single-walled zinc oxide and carbon nanotubes

22 de janeiro de 2016 CDMF 0

[otw_shortcode_button href=”http://cdmf.org.br/wp-content/uploads/2016/11/Marana-2016-Periodic-density-fun.pdf” size=”large” icon_type=”general foundicon-down-arrow” icon_position=”left” shape=”square” color_class=”otw-red” target=”_blank”]See PDF[/otw_shortcode_button] [otw_shortcode_button href=”http://www.sciencedirect.com/science/article/pii/S0022459616300184″ size=”large” icon_type=”general foundicon-page” icon_position=”left” shape=”square” color_class=”otw-green” target=”_blank”]Full Length Article[/otw_shortcode_button] Writers: Naiara L. Marana, Anderson R. Albuquerque, Felipe A. La Porta, Elson Longo, Julio […]

Determination of Ethambutol in Aqueous Medium Using an Inexpensive Gold Microelectrode Array as Amperometric Sensor

8 de dezembro de 2015 CDMF 0

[otw_shortcode_button href=”http://cdmf.org.br/website/wp-content/uploads/2016/11/Lima-2016-Determination-of-Eth.pdf” size=”large” icon_type=”general foundicon-down-arrow” icon_position=”left” shape=”square” color_class=”otw-red” target=”_blank”]See PDF[/otw_shortcode_button] [otw_shortcode_button href=”http://dx.doi.org/10.1002/elan.201500600″ size=”large” icon_type=”general foundicon-page” icon_position=”left” shape=”square” color_class=”otw-green” target=”_blank”]Full Length Article[/otw_shortcode_button] Writers: Lima, A. E. B., Luz, G. E., Batista, N. C., Longo, E., Cavalcante, L. […]

Electronic structure calculations of ESR parameters of melanin units

11 de fevereiro de 2015 CDMF 0

[otw_shortcode_button href=”http://cdmf.org.br/wp-content/uploads/2016/11/graeff-nov2016.pdf” size=”large” icon_type=”general foundicon-down-arrow” icon_position=”left” shape=”square” color_class=”otw-red” target=”_blank”]See PDF[/otw_shortcode_button] [otw_shortcode_button href=”http://dx.doi.org/10.1039/C4CP05256K” size=”large” icon_type=”general foundicon-page” icon_position=”left” shape=”square” color_class=”otw-green” target=”_blank”]Full Length Article[/otw_shortcode_button] Writers: Batagin-Neto, Augusto and Bronze-Uhle, Erika Soares and Graeff, Carlos Frederico de Oliveira Abstract: […]

First-Principles Study of Pressure-Induced Phase Transitions and Electronic Properties of Ag2MoO4

29 de março de 2014 Rose Portasio 0

Writers: Armando Beltrán, Lourdes Gracia, Elson Longo, Juan Andrés. Keywords: Electronic Properties Abstract: We have performed a systematic first-principles investigation by using the density functional formalism with the nonlocal B3LYP approximation to calculate structural and electronic properties […]

Fluorine doped SnO2 (FTO) nanobelts: some data on electronic parameters

29 de dezembro de 2013 Rose Portasio 0

Writers: Cleber A. Amorim, Cleocir J. Dalmaschio, Edson R. Leite, Adenilson J. Chiquito Keywords: field effect transistor; electronic transport; electron mobility Abstract: Fluorine doped SnO2 (FTO) nanobelts were synthesized and their transport properties, such as conduction mechanism, mobility, carrier density and density […]

Hydrostatic and [001] Uniaxial Pressure on Anatase TiO2 by Periodic B3LYP-D Calculations

26 de março de 2013 CDMF 0

Writers: Anderson R. Albuquerque; Jefferson Maul; Elson Longo; Iêda M. G. dos Santos; and Julio R. Sambrano. Keywords: Applied pressure; Density of state; Electronic and structural properties; Uniaxial pressures; Vibrational properties; Dispersions; Hydraulics; Hydrodynamics; Titanium […]