E.L. Albuquerque - Publications, H-index & Citations

E.L. Albuquerque

Universidade Federal do Rio Grande do Norte

36H指数

359论文数

5.4K被引数

收录论文 49

发表时间

First-principles study of the physical properties and Hirshfeld surface analysis of the antidepressants duloxetine and sertraline

PHYSICAL REVIEW B

IF3.7

2024-12-18

PREAI

Araujo, R. L.; Neto, J. X. Lima; Fulco, U. L.; Oliveira, J. I. N.; Albuquerque, E. L.; da Silva, L. R.; Torres, A.; Lyra, M. L.; Manzoni, V.

Investigating the molecular crystals of L-Alanine, DL-Alanine, β-Alanine, and Alanine hydrogen chloride: Experimental and DFT analysis of structural and optoelectronic properties

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2024-03-01

PREAI

Caetano, Ewerton W. S.; Silva, Jose B.; Bruno, Cesar H. V.; Albuquerque, Eudenilson L.; e Silva, Bruno P.; dos Santos, Regina C. R.; Teixeira, Alexandre M. R.; Freire, Valder N.

Exploring the Binding Mechanism of GABAB Receptor Agonists and Antagonists through in Silico Simulations

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-12-27

PREAI

Lima Neto, Jose X.; Bezerra, Katyanna S.; Barbosa, Emmanuel D.; Oliveira, Jonas I. N.; Manzoni, Vinicius; Soares-Rachetti, Vanessa P.; Albuquerque, Eudenilson L.; Fulco, Umberto L.

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

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2018-10-01

PREAI

Caetano, E. W. S.; Fulco, U. L.; Albuquerque, E. L.; de Lima Costa, A. H.; Costa, S. N.; Silva, A. M.; Sales, F. A. M.; Freire, V. N.

Inhibition of the checkpoint protein PD-1 by the therapeutic antibody pembrolizumab outlined by quantum chemistry

SCIENTIFIC REPORTS

IF3.9

2018-01-30

OAAI

Tavares, Ana Beatriz M. L. A.; Lima Neto, Jose X.; Fulco, Umberto L.; Albuquerque, Eudenilson L.

Thermal radiation in one-dimensional photonic quasicrystals with graphene

OPTICAL MATERIALS

IF4.2

2017-10-01

PREAI

Costa, C. H.; Vasconcelos, M. S.; Fulco, U. L.; Albuquerque, E. L.

Improved description of the structural and optoelectronic properties of DNA/RNA nucleobase anhydrous crystals: Experiment and dispersion-corrected density functional theory calculations

PHYSICAL REVIEW B

IF3.7

2017-08-17

PREAI

da Silva, M. B.; Francisco, T. S.; Maia, F. F., Jr.; Caetano, E. W. S.; Fulco, U. L.; Albuquerque, E. L.; Freire, V. N.

Photonic band gap spectra in Octonacci metamaterial quasicrystals

OPTICAL MATERIALS

IF4.2

2017-02-01

OAAI

Brandao, E. R.; Vasconcelos, M. S.; Albuquerque, E. L.; Fulco, U. L.

Electronic transport in methylated fragments of DNA

APPLIED PHYSICS LETTERS

IF3.6

2015-11-17

PREAI

de Almeida, M. L.; Oliveira, J. I. N.; Lima Neto, J. X.; Gomes, C. E. M.; Fulco, U. L.; Albuquerque, E. L.; Freire, V. N.; Caetano, E. W. S.; de Moura, F. A. B. F.; Lyra, M. L.

Vibrational and thermodynamic properties of orthorhombic CaSnO3 from DFI and DFPT calculations

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2015-02-01

OAAI

Moreira, E.; Barboza, C. A.; Albuquerque, E. L.; Fulco, U. L.; Henriques, J. M.; Araujo, A. I.

Structural, optoelectronic, infrared and Raman spectra from first principles calculations of γ-Cd(OH)2 从 γ-cd (OH)2的第一性原理计算的结构，光电，红外和拉曼光谱

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

IF4.9

2015-01-01

OAAI

Henriques, J. M.; Barboza, C. A.; Albuquerque, E. L.; Fulco, U. L.; Moreira, E.

Optical Absorption of the Antitrypanocidal Drug Benznidazole in Water

MOLECULES

IF4.6

2014-04-02

OAAI

Bezerra, Eveline M.; Bezerra-Neto, Joao R.; Sales, Francisco A. M.; dos Santos, Ricardo P.; Martins, Alice M. C.; de Lima-Neto, Pedro; Caetano, Ewerton W. S.; Albuquerque, Eudenilson L.; Freire, Valder N.

DNA-based nanobiostructured devices: The role of quasiperiodicity and correlation effects

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

IF29.5

2014-02-01

PREAI

Albuquerque, E. L.; Fulco, U. L.; Freire, V. N.; Caetano, E. W. S.; Lyra, M. L.; de Moura, F. A. B. F.

Assessing the Role of Water on the Electronic Structure and Vibrational Spectra of Monohydrated L-Aspartic Acid Crystals

CRYSTAL GROWTH & DESIGN

IF3.4

2013-10-28

PREAI

Silva, A. M.; Costa, S. N.; Silva, B. P.; Freire, V. N.; Fulco, U. L.; Albuquerque, E. L.; Caetano, E. W. S.; Maia, F. F., Jr.

L-Serine Anhydrous Crystals: Structural, Electronic, and Optical Properties by First-Principles Calculations, and Optical Absorption Measurement

CRYSTAL GROWTH & DESIGN

IF3.4

2013-06-07

PREAI

Costa, S. N.; Sales, F. A. M.; Freire, V. N.; Maia, F. F., Jr.; Caetano, E. W. S.; Ladeira, L. O.; Albuquerque, E. L.; Fulco, U. L.

Optical absorption and DFT calculations in L-aspartic acid anhydrous crystals: Charge carrier effective masses point to semiconducting behavior

PHYSICAL REVIEW B

IF3.7

2012-11-05

PREAI

Silva, A. M.; Silva, B. P.; Sales, F. A. M.; Freire, V. N.; Moreira, E.; Fulco, U. L.; Albuquerque, E. L.; Maia, F. F., Jr.; Caetano, E. W. S.

Omnidirectional band gaps in quasiperiodic photonic crystals in the THz region 太赫兹区域准周期光子晶体的全向带隙

OPTICAL MATERIALS

IF4.2

2012-11-01

OAAI

Araujo, C. A. A.; Vasconcelos, M. S.; Mauriz, P. W.; Albuquerque, E. L.

Structural and electronic properties of SrxBa1-xSnO3 from first principles calculations

JOURNAL OF SOLID STATE CHEMISTRY

IF3.5

2012-03-01

PREAI

Moreira, E.; Henriques, J. M.; Azevedo, D. L.; Caetano, E. W. S.; Freire, V. N.; Albuquerque, E. L.

Configuration-Interaction Excitonic Absorption in Small Si/Ge and Ge/Si Core/Shell Nanocrystals

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2012-02-09

PREAI

de Oliveira, E. L.; Albuquerque, E. L.; de Sousa, J. S.; Farias, G. A.; Peeters, F. M.

Two-Level Adsorption of Ibuprofen on C60 Fullerene for Transdermal Delivery: Classical Molecular Dynamics and Density Functional Theory Computations

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2011-11-22

PREAI

Hadad, Andre; Azevedo, David L.; Caetano, Ewerton W. S.; Freire, Valder N.; Mendonca, Glaydson L. F.; Neto, Pedro L.; Albuquerque, Eudenilson L.; Margis, Rogerio; Gottfried, Carmem

研究方向