دنبال کردن
Bruno Poti e Silva
عنوان
نقل شده توسط
نقل شده توسط
سال
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
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–13