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Bruno Poti e Silva
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Optical absorption and DFT calculations in -aspartic acid anhydrous crystals: Charge carrier effective masses point to semiconducting behavior
AM Silva, BP Silva, FAM Sales, VN Freire, E Moreira, UL Fulco, ...
Physical Review B—Condensed Matter and Materials Physics 86 (19), 195201, 2012
622012
Structural, electronic and optical properties of monoclinic Na2Ti3O7 from density functional theory calculations: A comparison with XRD and optical absorption measurements
AA Araújo-Filho, FLR Silva, A Righi, MB da Silva, BP Silva, EWS Caetano, ...
Journal of Solid State Chemistry 250, 68-74, 2017
552017
Assessing the Role of Water on the Electronic Structure and Vibrational Spectra of Monohydrated l-Aspartic Acid Crystals
AM Silva, SN Costa, BP Silva, VN Freire, UL Fulco, EL Albuquerque, ...
Crystal growth & design 13 (11), 4844-4851, 2013
252013
Structural and Optoelectronic Properties of the α-, β-, and γ-Glycine Polymorphs and the Glycine Dihydrate Crystal: A DFT Study
JS Rodríguez, G Costa, MB Da Silva, BP Silva, LJ Honório, ...
Crystal Growth & Design 19 (9), 5204-5217, 2019
232019
Solid state properties of hydroxyurea: Optical absorption measurement and DFT calculations
BP Silva, RPG Lemes, G Zanatta, RC Rodrigues dos Santos, ...
Journal of Applied Physics 125 (13), 2019
72019
Investigating the molecular crystals of L-alanine, DL-alanine, β-alanine, and alanine hydrogen chloride: experimental and DFT analysis of structural and optoelectronic properties
EWS Caetano, JB Silva, CHV Bruno, EL Albuquerque, BP e Silva, ...
Journal of Molecular Structure 1300, 137228, 2024
52024
Optical absorption measurements and optoelectronic DFT calculations for ethanol solvated quercetin and anhydrous/hydrated quercetin crystals
VF de Paula Jr, MIF Guedes, MF van Tilburg, IGP Vieira, JB Silva, ...
Journal of Solid State Chemistry 312, 123242, 2022
52022
Molecular γ-amino butyric acid and its crystals: Structural, electronic and optical properties
JB Silva, JP Echeverry, RCR dos Santos, VF de Paula Jr, MIF Guedes, ...
Journal of Solid State Chemistry 321, 123900, 2023
22023
Improving the kinetic resolution of rac-2-(diphenylthiophosphinoferrocene) methanol catalyzed by Thermomyces lanuginosus lipase immobilized on immobead-150
NOS Fróes, U Bandyopadhyay, JM Negreiro, T de Sousa Fonseca, ...
Molecular Catalysis 535, 112867, 2023
12023
Dimethyl fumarate molecule, crystal, and plane: Optical absorption measurement and structural/optoelectronic properties by density functional theory calculations
BP Silva, AGL Costa, MB da Silva, AM Cunha, RCR Santos, A Valentini, ...
Journal of Physics and Chemistry of Solids 170, 110958, 2022
12022
Synthesis, crystal structure, structural and spectroscopic analyses, in silico and DFT studies of a novel isoniazid derivative against Mycobacterium Tuberculosis
IKC Lima, JB Silva, JM Guedes, MA Ribeiro, VN Freire, AP Ayala, ...
Journal of Molecular Structure 1327, 141181, 2025
2025
Cristais/moléculas de fármacos: Uma descrição via teoria do funcional da densidade
BP Silva
2019
Propriedades estruturais, eletrônicas, ópticas e vibracionais do cristal de ureia sob formalismo DFT
BP Silva
2014
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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