E. Caetano

发表

Anhydrous proline crystals: Structural optimization, optoelectronic properties, effective masses and Frenkel exciton energy

E. L. Albuquerque, F. Sales, V. Freire, 2018, Journal of Physics and Chemistry of Solids.

Conductance of single microRNAs chains related to the autism spectrum disorder

E. L. Albuquerque, P. Mauriz, U. L. Fulco, 2014 .

Optical absorption measurements and optoelectronic DFT calculations for ethanol solvated quercetin and anhydrous/hydrated quercetin crystals

F. F. Maia, Í. Vieira, E. Caetano, 2022, Journal of Solid State Chemistry.

C60-derived nanobaskets: stability, vibrational signatures, and molecular trapping

E. L. Albuquerque, E. Albuquerque, D. Galvão, 2009, Nanotechnology.

Vibrational Properties of Bulk Boric Acid 2A and 3T Polymorphs and Their Two-Dimensional Layers: Measurements and Density Functional Theory Calculations.

V. Freire, P. Freire, E. Caetano, 2018, The journal of physical chemistry. A.

Rose Bengal incorporated to α-cyclodextrin microparticles for photodynamic therapy against the cariogenic microorganism Streptococcus mutans.

F. Sales, P. de Lima-Neto, I. L. Barroso-Neto, 2019, Photodiagnosis and photodynamic therapy.

Structural and Optoelectronic Properties of the α-, β-, and γ-Glycine Polymorphs and the Glycine Dihydrate Crystal: A DFT Study

P. de Lima-Neto, P. Lima-Neto, E. Caetano, 2019, Crystal Growth & Design.

Electronic and optical properties of CaCO3 calcite, and excitons in Si@CaCO3 and CaCO3@SiO2 core-shell quantum dots

S. K. Medeiros, E. L. Albuquerque, F. F. Maia, 2007 .

First-principles calculations of structural, electronic and optical properties of orthorhombic CaPbO3

E. L. Albuquerque, J. M. Henriques, E. Caetano, 2008 .

Structural, electronic, and optical absorption properties of orthorhombic CaSnO3 through ab initio calculations

E. L. Albuquerque, J. M. Henriques, E. Caetano, 2007 .

CaO first-principles electronic properties and MOS device simulation

S. K. Medeiros, E. L. Albuquerque, F. F. Maia, 2007 .

Structural, Electronic, and Optical Properties of Bulk Boric Acid 2A and 3T Polymorphs: Experiment and Density Functional Theory Calculations

V. Freire, A. Cunha, A. Valentini, 2016 .

Computational structural, electronic and optical properties of the palmitic acid in its C form

A. M. Silva, V. Freire, F. de Sousa, 2021, Journal of Molecular Modeling.

Thermal stability and electronic properties of boron nitride nanoflakes

A. M. Silva, A. Macedo-Filho, J. Melo, 2020, Journal of Molecular Modeling.

Vibrational Modes and Phonon and Thermodynamic Properties of the Metaboric Acid Polymorphs α-, β-, and γ-(BOH)3O3 within a Density Functional Theory Framework.

Raphael Ribeiro Cruz Santos, V. Freire, E. Caetano, 2018, The journal of physical chemistry. A.

Structural, electronic, and optical properties of inhomogeneous Ca1−x Mg x O alloys

V. Freire, J. S. Sousa, P. Lima-Neto, 2019, Journal of Applied Physics.

Anhydrous crystals of DNA bases are wide gap semiconductors.

E. L. Albuquerque, F. F. Maia, E. Caetano, 2011, The Journal of chemical physics.

Novel Si-C compounds with semiconducting and metallic properties: A DFT study

V. Freire, E. Caetano, A. Matos, 2020 .

Changing the gap type of solid state boric acid by heating: a dispersion-corrected density functional study of α-, β-, and γ-metaboric acid polymorphs

V. Freire, A. Cunha, A. Valentini, 2017 .