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Structural, electronic and optical properties of monoclinic Na2Ti3O7 from density functional theory calculations: A comparison with XRD and optical absorption measurements

A. Araujo-Filho, F. Silva, A. Righi, M. da Silva, B. Silva, E. Caetano, and V. Freire. JOURNAL OF SOLID STATE CHEMISTRY, (2017)
DOI: 10.1016/j.jssc.2017.03.017

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S. W. Armfield The University of Sydney

Andreas W S Jarosch

Patrick W S Okanya

Caetano Sauer

Luciano Caetano Rosa

Other publications of authors with the same name

Quantum molecular modelling of ibuprofen bound to human serum albuminD. Dantas, J. Oliveira, J. Neto, R. da Cost, E. Bezerra, V. Freire, E. Caetano, U. Fulco, and E. Albuquerque. RSC ADVANCES, 5 (61): 49439-49450 (2015)First-generation antipsychotic haloperidol: optical absorption measurement and structural, electronic, and optical properties of its anhydrous monoclinic crystal by first-principle approachesG. Zanatta, M. da Silva, J. da Silva, R. dos Santos, F. Sales, C. Gottfried, E. Caetano, and V. Freire. NEW JOURNAL OF CHEMISTRY, 42 (16): 13629-13640 (2018)Two-Level Adsorption of Ibuprofen on C-60 Fullerene for Transdermal Delivery: Classical Molecular Dynamics and Density Functional Theory ComputationsA. Hadad, D. Azevedo, E. Caetano, V. Freire, G. Mendonca, P. Neto, E. Albuquerque, R. Margis, and C. Gottfried. JOURNAL OF PHYSICAL CHEMISTRY C, 115 (50): 24501-24511 (2011)Inactivation of Ovine Cyclooxygenase-1 by Bromoaspirin and Aspirin: A Quantum Chemistry DescriptionI. Barroso-Neto, J. Marques, R. da Costa, E. Caetano, B. Cavada, C. Gottfried, and V. Freire. JOURNAL OF PHYSICAL CHEMISTRY B, 116 (10): 3270-3279 (2012)mTOR-mLST8 interaction: hot spot identification through quantum biochemistry calculationsF. de Oliveira, J. Carletti, F. Azevedo, F. de Sousa, E. Caetano, V. Freire, and G. Zanatta. NEW JOURNAL OF CHEMISTRY, 44 (48): 20982-20992 (2020)Energetic description of cilengitide bound to integrinJ. Neto, K. Bezerra, D. Manso, K. Mota, J. Oliveira, E. Albuquerque, E. Caetano, V. Freire, and U. Fulco. NEW JOURNAL OF CHEMISTRY, 41 (19): 11405-11412 (2017)Quantum binding energy features of the T3-785 collagen-like triple-helical peptideK. Bezerra, J. Oliveira, J. Neto, E. Albuquerque, E. Caetano, V. Freire, and U. Fulco. RSC ADVANCES, 7 (5): 2817-2828 (2017)Controlled Release of Nor--lapachone by PLGA Microparticles: A Strategy for Improving Cytotoxicity against Prostate Cancer CellsM. Costa, A. Feitosa, F. Oliveira, B. Cavalcanti, E. da Silva Jr., G. Dias, F. Sales, B. Sousa, I. Barroso-Neto, C. Pessoa and 5 other author(s). MOLECULES, (2016)Optical Absorption of the Antitrypanocidal Drug Benznidazole in WaterE. Bezerra, J. Bezerra-Neto, F. Sales, R. dos Santos, A. Martins, P. de Lima-Neto, E. Caetano, E. Albuquerque, and V. Freire. MOLECULES, 19 (4): 4145-4156 (2014)An ab initio explanation of the activation and antagonism strength of an AMPA-sensitive glutamate receptorA. Martins, P. de Lima-Neto, I. Barroso-Neto, B. Cavada, V. Freire, and E. Caetano. RSC ADVANCES, 3 (35): 14988-14992 (2013)

BibSonomy

Disambiguation of "Caetano, Ewerton W S"