New ethionamide boosters and EthR2: structural and energetic analysis
Vianna, J. F, Bezerra, K. S, Lima Costa, A. H, Barbosa, E. D, Lima Neto, J. X, Oliveira, J. I. N, Freire, V. N, Fulco, U. L
Published in Physical chemistry chemical physics : PCCP (20.10.2021)
Published in Physical chemistry chemical physics : PCCP (20.10.2021)
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Vibrational Modes and Phonon and Thermodynamic Properties of the Metaboric Acid Polymorphs α‑, β‑, and γ‑(BOH)3O3 within a Density Functional Theory Framework
da Silva, M. Bezerra, Santos, R. C. R, Rodríguez Hernández, J. S, Caetano, E. W. S, Freire, V. N
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.09.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.09.2018)
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On the structural, electronic, and optical properties of L-histidine crystal: a DFT study
Pereira, F. A. R., Macedo-Filho, A., Silva, A. M., Frazão, N. F., Sarmento, R. G., Lima, K. A. L., Melo, J. J. S., Pereira Junior, M. L., Ribeiro Junior, L. A., Freire, V. N.
Published in Journal of molecular modeling (01.07.2023)
Published in Journal of molecular modeling (01.07.2023)
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Vibrational Spectroscopy and Phonon-Related Properties of the l‑Aspartic Acid Anhydrous Monoclinic Crystal
Silva, A. M, Costa, S. N, Sales, F. A. M, Freire, V. N, Bezerra, E. M, Santos, R. P, Fulco, U. L, Albuquerque, E. L, Caetano, E. W. S
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.12.2015)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.12.2015)
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Structural and electronic properties of SrxBa1−xSnO3 from first principles calculations
Moreira, E., Henriques, J.M., Azevedo, D.L., Caetano, E.W.S., Freire, V.N., Albuquerque, E.L.
Published in Journal of solid state chemistry (01.03.2012)
Published in Journal of solid state chemistry (01.03.2012)
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Anhydrous crystals of DNA bases are wide gap semiconductors
Maia, Jr, F F, Freire, V N, Caetano, E W S, Azevedo, D L, Sales, F A M, Albuquerque, E L
Published in The Journal of chemical physics (07.05.2011)
Published in The Journal of chemical physics (07.05.2011)
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Antimicrobial effect of Dinoponera quadriceps (Hymenoptera: Formicidae) venom against Staphylococcus aureus strains
Lima, D.B, Torres, A.F.C, Mello, C.P, Menezes, R.R.P.P.B, Sampaio, T.L, Canuto, J.A, Silva, J.J.A, Freire, V.N, Quinet, Y.P, Havt, A, Monteiro, H.S.A, Nogueira, N.A.P, Martins, A.M.C
Published in Journal of applied microbiology (01.08.2014)
Published in Journal of applied microbiology (01.08.2014)
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Defects in Graphene-Based Twisted Nanoribbons: Structural, Electronic, and Optical Properties
Caetano, E. W. S, Freire, V. N, dos Santos, S. G, Albuquerque, E. L, Galvão, D. S, Sato, F
Published in Langmuir (21.04.2009)
Published in Langmuir (21.04.2009)
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Adsorption of Ascorbic Acid on the C60 Fullerene
Santos, S. G, Santana, J. V, Maia, F. F, Lemos, V, Freire, V. N, Caetano, E. W. S, Cavada, B. S, Albuquerque, E. L
Published in The journal of physical chemistry. B (13.11.2008)
Published in The journal of physical chemistry. B (13.11.2008)
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Performance of invertase immobilized on glass–ceramic supports in batch bioreactor
Albertini, A.V.P., Cadena, P.G., Silva, J.L., Nascimento, G.A., Reis, A.L.S., Freire, V.N., Santos, R.P., Martins, J.L., Cavada, B.S., Neto, P.J. Rolim, Pimentel, M.C.B., Martínez, C.R., Porto, A.L.F., Lima Filho, J.L.
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.04.2012)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.04.2012)
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In silico approach of modified melanoma peptides and their immunotherapeutic potential
Pereira, A C L, Bezerra, K S, Santos, J L S, I N Oliveira, J, Freire, V N, Fulco, U L
Published in Physical chemistry chemical physics : PCCP (04.02.2021)
Published in Physical chemistry chemical physics : PCCP (04.02.2021)
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Graphene Nanoflakes: Thermal Stability, Infrared Signatures, and Potential Applications in the Field of Spintronics and Optical Nanodevices
Silva, A. M, Pires, M. S, Freire, V. N, Albuquerque, E. L, Azevedo, D. L, Caetano, E. W. S
Published in Journal of physical chemistry. C (21.10.2010)
Published in Journal of physical chemistry. C (21.10.2010)
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Structural and Optoelectronic Properties of the α‑, β‑, and γ‑Glycine Polymorphs and the Glycine Dihydrate Crystal: A DFT Study
Rodríguez, J. S, Costa, G, da Silva, M. B, Silva, B. P, Honório, L. J, de Lima-Neto, P, Santos, R. C. R, Caetano, E. W. S, Alves, H. W. L, Freire, V. N
Published in Crystal growth & design (04.09.2019)
Published in Crystal growth & design (04.09.2019)
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Computational investigation of the α2β1 integrin–collagen triple helix complex interaction (This document is a collaborative effort of all authors.)
Bezerra, K S, Lima Neto, J X, Oliveira, J I N, Albuquerque, E L, Caetano, E W S, Freire, V N, Fulco, U L
Published in New journal of chemistry (2018)
Published in New journal of chemistry (2018)
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CaO first-principles electronic properties and MOS device simulation
Medeiros, S K, Albuquerque, E L, Maia, F F, de Sousa, J S, Caetano, E W S, Freire, V N
Published in Journal of physics. D, Applied physics (21.03.2007)
Published in Journal of physics. D, Applied physics (21.03.2007)
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