Revistas¶

1. L.G.M. de Macedo and A.R. de Souza, Fully Relativistic 4-Components DFT Investigation on Bonding and Dissociation Energy of HgO, Journal of Computational and Theoretical Nanoscience, 8, 38-42 (2011). DOI: http://dx.doi.org/10.1166/jctn.2011.1655
2. M.C. Gomes, D.M.G. Leite, J.R. Sambrano, J.H. D. da Silva and A. R. de Souza, Thermodynamic and electronic study of Ga1-xMnxN Films. A theoretical study, Surface Science, 605, 1431-1437 (2011). DOI: http://dx.doi.org/10.1016/j.susc.2011.05.007
3. N. L. Marana, J. Sambrano and A. R. de Souza, Propriedades eletrônicas, estruturais e constantes elásticas do ZnO, Química Nova (Impresso), 33, 810-815 (2010), DOI: http://dx.doi.org/10.1590/S0100-40422010000400009
4. A.C. Gigante, D.J.C. Gomes, L.S. Lima, F.J. Caires, O. Treu-Filho and M. Ionashiro, Synthesis, thermal properties and spectroscopic study of solid mandelate of light trivalent lanthanides, Zhermochimica Acta, 536, 6-14 (2012). DOI: http://dx.doi.org/10.1016/j.tca.2012.02.019
5. F.J. Caires, L.S. Lima, C.T. Carvalho, A. B. Siqueira, Oswaldo Treu-Filho and M. Ionashiro, Thermal and spectroscopic data to investigate the oxamic acid, sodium oxamate and its compounds with some bivalent transition metal ions, J Therm Anal Calorim, DOI: http://dx.doi.org/10.1007/s10973-011-1835-8
6. R.P. Simões, P.A. Venegas and D.F. Mello, Role of Interstitial Pinning in the Dynamical Phases of Vortices in Superconducting Films, J Supercond Nov Magn (2013) 26:2277–2279, DOI: http://dx.doi.org/10.1007/s10948-012-1532-2
7. E.F. Oliveira, J. C. Roldao, B. Milián-Medina, F.C. Lavarda and J. Gierschner, Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series, Chemical Physics Letters, Volume 645, February 2016, Pages 169–173
8. F.J. Caires, L. S. Lima, D. J. C. Gomes, A.C. Gigante, O. Treu-Filho and M. Ionashiro, Thermal and spectroscopic studies of solid oxamate of light trivalent lanthanides, Journal of Thermal Analysis and Calorimetry (2013) 111:349–355, DOI: http://dx.doi.org/10.1007/s10973-012-2220-y
9. D.A. Galico, B. B. Holanda, G. L. Perpetuo, E. Schnitzler, O. Treu-Filho, G. Bannach, Thermal and spectroscopic studies on solid Ketoprofen of lighter trivalent lanthanides, Journal of Thermal Analysis and Calorimetry (2012) 108:371–379 DOI: http://dx.doi.org/10.1007/s10973-011-1866-1
10. P.R. Costa, M.L. Acencio and N. Lemke, A machine learning approach for genome-wide prediction of morbid and druggable human genes based on systems-level data, BMC Genomics. 2010 Dec 22;11 Suppl 5:S9. DOI: http://dx.doi.org/10.1186/1471-2164-11-S5-S9.
11. Lemke, N. and Campbell, Ian A., Stretched-exponential behavior and random walks on diluted hypercubic lattices, Physical Review E, 84, 4 Part 1 (2011). DOI: http://dx.doi.org/10.1103/PhysRevE.84.041126
12. T.C. Lourenco, J. M. Batista Jr, M. Furlan, Y. He, L. A. Nafie, C. C. Santana and Q. B.Cass, Albendazole sulfoxide enantiomers: Preparative chiral separation and absolute stereochemistry, Journal of Chromatography A, 1230 (2012) 61–65, DOI: http://dx.doi.org/10.1016/j.chroma.2012.01.070
13. M.L. Acencio and N. Lemke; Towards the prediction of essential genes by integration of network topology, cellular localization and biological process information, Biomedcentral, 10, 290 (2009). [fonte: http://www.biomedcentral.com/1471-2105/10/290]
14. F.A. Garcia, P.A. Venegas, P.G. Pagliuso, C. Rettori, Z. Fisk, P. Schlottmann, and S. B. Oseroff, Thermally activated exchange narrowing of the Gd3+ ESR fine structure in a single crystal of Ce1-xGdxFe4P12 (x≈0.001) skutterudite, Physical Review B, 84, 125116 (2011). [fonte: http://prb.aps.org/abstract/PRB/v84/i12/e125116]
15. E.D. Leonel and Carl P. Dettmann, Recurrence of particles in static and time varying oval billiards, Physics Letters A, 03, 056 (2012). DOI: http://dx.doi.org/10.1016/j.physleta.2012.03.056
16. E.D. Leonel and D.F M. Oliveira, Parameter-space for a dissipative Fermi-Ulam model, Physical Review E, 13, 123012 (2011). DOI: http://dx.doi.org/10.1088/1367-2630/13/12/123012
17. S.J.S. Franchi, A.V.G. Netto, A.E. Mauro, O. Treu-Filho, R.C.G. Frem, E. T. de Almeida, C. Torres and S. C. Lemos, Synthesis, characterization, thermal studies, and DFT calculations on Pd(II) complexes containing N-methylbenzylamine, J Therm Anal Calorim (2011) 106:391–397, DOI: http://dx.doi.org/10.1007/s10973-011-1494-9
18. E.D. Leonel, D.R. da Costa and C.P. Dettmann, Scaling invariance for the escape of particles from a periodically corrugated waveguide, Physics Letters, 376, 421-425 (2012), DOI: http://dx.doi.org/10.1016/j.physleta.2011.11.027
19. D.F.T. de Sousa, R.N.C. Filho and E.D. Leonel, A dissipative Fermi Ulam model with two nonlinearities: boundary crisis and the parameter-space . Journal of Physics A. Physica A 392 (2013) 1762–1769, DOI: http://dx.doi.org/10.1016/j.physa.2012.12.021
20. D.F.M. Oliveira, M. Robnik and E. D. Leonel, Statistical properties of a dissipative kicked system: Critical exponents and scaling invariance, Physics Letters, 376, 723-728 (2012). DOI: http://dx.doi.org/10.1016/j.physleta.2011.12.031
21. D.F.M. Oliveira, M. Robnik, and E.D. Leonel, Shrimp-shape domains in a dissipative kicked rotator, Chaos, 21, 043122 (2011).Chaos. DOI: http://dx.doi.org/10.1063/1.3657917.
22. A. Batagin-Neto, E. Bronze-Uhle, D. Fernandes, I. Fratoddi, I. Venditti, F. Decker, E. Bodo, M. V. Russo and C. Graeff, Optical Behavior of Conjugated Pt-Containing Polymetallaynes Exposed to Gamma-Ray Radiation Doses, Journal of Physical Chemistry B, 115, 8047-8053 (2011). DOI: http://dx.doi.org/10.1021/jp200831z. Epub 2011 Jun 9.
23. E.S. Bronze-Uhle, A. Batagin-Neto, F.C. Lavarda, and C.F.O. Graeff, Ionizing radiation induced degradation of poly (2-methoxy-5-(2’-ethyl-hexyloxy) -1,4-phenylene vinylene) in solution,J. Appl. Phys. 110, 073510 (2011); DOI: http://dx.doi.org/10.1063/1.3644946
24. L.G. Felippe, J. M. Batista Jr., D. C. Baldoqui, I. R. Nascimento, M. J. Kato, V. S. Bolzani and M. Furlan, Structure and absolute configuration of a segnan from Peperomia blanda, Phytochemistry Letters, 4, 245-249 (2011). DOI: http://dx.doi.org/10.1016/j.phytol.2011.04.007
25. E.F. de Oliveira and F.C. Lavarda, Conformation Structure of Conjugated Polymer P3HT in Solution, Physicæ Proceedings (2012). DOI: http://dx.doi.org/10.5196/physicae.proceedings.XIYRM.4
26. L.G. Felippe, J.M.B. Junior, D.C. Baldoqui, I.R. Nascimento, M.J. Kato, Y. He, L.A. Nafie and M. Furlan, VCD to determine absolute configuration of natural product molecules: secolignans from Peperomia blanda, Org. Biomol. Chem., (2012), Accepted Manuscript, DOI: http://dx.doi.org/10.1039/C2OB25109D
27. M.R. Silva, D.R. da Costa and E. D. Leonel., Characterization of multiple reflections and phase space properties for a periodically corrugated waveguide, Journal of Physics A: Mathematical and Theoretical, 45, 26 (2012).[fonte: http://www.producao.usp.br/handle/BDPI/40884]
28. D. Carvalho, S. Schönwald, G. Dellagustin, E. de Santa-Helena, N. Lemke and G. Gerhardt, Sleep Spindle Frequency Modulation (Chirp) in Obstructive Sleep Apnea (P04.025), G1 Clinical Neurophysiology, April 25, 2012; 78(Meeting Abstracts 1): P04.025, DOI: http://dx.doi.org/10.1212/WNL.78.1_MeetingAbstracts.P04.025Neurology
29. T. Botari and E.D. Leonel, A one-dimensional Fermi accelerator model with moving wall described by a nonlinear van der Pol oscillator, Phys. Rev. E 87, 012904 – Published 7 January 2013, DOI: http://dx.doi.org/10.1103/PhysRevE.87.012904
30. D.F. Tavaresa, E. D. Leonel and R.N. Costa Filho, Non-uniform drag force on the Fermi accelerator model, Physica A, 06, 44 (2012). DOI: http://dx.doi.org/10.1016/j.physa.2012.06.044
31. Canedo, C., Haddad, C.F.B., Phylogenetic relationships within anuran clade Terrarana, with emphasis on the placement of Brazilian Atlantic rainforest frogs genus Ischnocnema (Anura:Brachycephalidae), Molecular Phylogenetics and Evolution (2012), DOI: http://dx.doi.org/10.1016/j.ympev.2012.07.016
32. S.V. Schönwald, D.Z. Carvalho, E. L de S. Helena, N. Lemke and Günther J L Gerhardt, Topography-specific spindle frequency changes in Obstructive Sleep Apnea, BMC Neuroscience, 13:89, DOI: http://dx.doi.org/10.1186/1471-2202-13-89
33. A.L.P. Livorati, T. Kroetz, C.P. Dettmann, I.L. Caldas and E.D. Leonel, Stickiness in a bouncer model: A slowing mechanism for Fermi acceleration, Phyiscal Review E, vol. 86, pp. 036203, 2012, DOI: http://dx.doi.org/10.1103/PhysRevE.86.036203
34. William F. Porto, Valéria A. Souza, Diego O. Nolasco, Octávio L. Franco, In silico identification of novel hevein-like peptide precursors, Peptides, Volume 38, Issue 1, November 2012, Pages 127-136, ISSN 0196-9781, http://dx.doi.org/10.1016/j.peptides.2012.07.025. (http://www.sciencedirect.com/science/article/pii/S0196978112003269)*
35. Diego F.M. Oliveira and E. D. Leonel, Dynamical properties for the problem of a particle in an electric field of wave packet: Low velocity and relativistic approach, Physics Letters A (November 2012), DOI: http://dx.doi.org/10.1016/j.physleta.2012.10.052
36. L.G. Verga, M.M. Bonilha, M. Carlone, P.A. Venegas, Critical Currents and Melting Temperature of a Two-dimensional Vortex Lattice with Periodic Pinning, (Submitted on 7 Nov 2012), http://arXiv:1211.1561 [cond-mat.supr-con]
37. A. Batagin-Neto, E.F. Oliveira, C.F.O. Graeff & F.C. Lavarda, Modelling polymers with side chains: MEH-PPV and P3HT, 12 Oct 2012, DOI: http://dx.doi.org/10.1080/08927022.2012.724174
38. C.P. Dettmann and E.D. Leonel, Periodic volume fluctuations with infinite horizon: Intermittency enhanced Fermi acceleration, (Submitted on 21 Dec 2012), http://arxiv.org/abs/1212.5482v1
39. A.L.P. Livorati, A. Loskutov and E. D. Leonel, A peculiar Maxwell’s Demon observed in a time-dependent stadium-like billiard, Physica A: Statistical Mechanics and its Applications, Volume 391, Issue 20, 15 October 2012, Pages 4756–4762, DOI: http://dx.doi.org/10.1016/j.physa.2012.05.002
40. J.A de Oliveira and E. D. Leonel, Dissipation and its consequences in the scaling exponents for a family of two-dimensional mappings, 2012 J. Phys. A: Math. Theor. 45 165101, DOI: http://dx.doi.org/10.1088/1751-8113/45/16/165101
41. D.G. Ladeira and E.D.Leonel, Scaling investigation for the dynamics of charged particles in an electric field accelerator, Chaos: An Interdisciplinary Journal of Nonlinear Science, 22, 043148 (2012); DOI: http://dx.doi.org/10.1063/1.4772997
42. D.F.M. Oliveira and E. D. Leonel, Some dynamical properties of a classical dissipative bouncing ball model with two nonlinearities, Original Research Article, Physica A: Statistical Mechanics and its Applications, In Press, Accepted Manuscript, Available online 3 January 2013, DOI: http://dx.doi.org/10.1016/j.physa.2012.12.021
43. Oliveira, E. F. d., Camilo-Jr, A., Silva-Filho, L. C. d. and Lavarda, F. C. (2013), Effect of chemical modifications on the electronic structure of poly(3-hexylthiophene), J. Polym. Sci. B Polym. Phys., DOI: http://dx.doi.org/10.1002/polb.23274
44. N.H. Morgon, Estudo teórico das transições eletrônicas usando métodos simples e sofisticados, Quím. Nova vol.36 no.4 São Paulo 2013, DOI: http://dx.doi.org/10.1590/S0100-40422013000400019 
45. R.P. Simões, P.A. Venegas and D.F. Mello, The Effects of Pinning on Critical Currents of Superconducting Films, J Supercond Nov Magn (2013) 26:2281–2284, DOI: http://dx.doi.org/10.1007/s10948-012-1427-2
46. J.A. de Oliveira, E. R. Papesso and E. D. Leonel, Relaxation to Fixed Points in the Logistic and Cubic Maps: Analytical and Numerical Investigation, Entropy 2013, 15, 4310-4318; DOI: http://dx.doi.org/10.3390/e15104310
47. J. Cota, L.C. Oliveira, A.R.L. Damásio, A.P. Citadini, Z.B. Hoffmam, T.M. Alvarez, C.A. Codima, V.B.P. Leite, G. Pastore, M. de Oliveira-Neto, M.T. Murakami, R. Ruller, and F.M. Squina, Assembling a xylanase-lichenase chimera through all-atom molecular dynamics simulations, Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, Elsevier, DOI: http://dx.doi.org/10.1016/j.bbapap.2013.02.030
48. A.R. Albuquerque, J. Maul, E. Longo, I.M.G. Santos, and J.R. Sambrano, Hydrostatic and [001] Uniaxial Pressure on Anatase TiO by Periodic B3LYP-D Calculations, J. Phys. Chem. C, DOI: http://dx.doi.org/10.1021/jp311572y, Publication Date (Web): 20 Mar 2013
49. S.J. de Carvalho and D.L. Zago Caetano, Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions, J. Chem. Phys. 138, 244909 (2013); DOI: http://dx.doi.org/10.1063/1.4811842
50. G.L. Perpetuo, D. A. Galico, R. A. Fugita, R. A. E. Castro, M. E. S. Eusebio, O. Treu-Filho, A. C. M. Silva and G. Bannach, Thermal behavior of some antihistamines, J Therm Anal Calorim (2013) 111:2019–2028, DOI: http://dx.doi.org/10.1007/s10973-012-2247-0
51. A.C. Ferraretto, R. S. Nunes, J. M. Luiz, F. J. Caires, O. Treu-Filho, and M. Ionashiro, Synthesis, characterization, thermal behavior, and DFT calculation of solid 1,4-bis(3-carboxy-3-oxo-prop-1-enyl) benzene of some trivalent lanthanides, J Therm Anal Calorim, DOI: http://dx.doi.org/10.1007/s10973-014-4016-8
52. M. Fasciotti, P. M. Lalli, G. Heerdt, R. A. Steffen, Y. E. Corilo, G. F. de Sá, R. J. Daroda, F. de A. M. Reis, N. H. Morgon, R. C. L. Pereira, M. N. Eberlin and C. F. Klitzke, Structure-drift time relationships in ion mobility mass spectrometry,DOI: http://dx.doi.org/10.1007/s12127-013-0129-1, Published online: 20 March 2013
53. V.G. Contessoto, D. T. Lima, R .J. Oliveira, A. T. Bruni, J. Chahine, V. B. P. Leite, Analyzing the effect of homogeneous frustration in protein folding, DOI: http://dx.doi.org/10.1002/prot.24309, ‘Accepted Article’, March 13, 2013
54. J.A. de Oliveira, C.P. Dettmann, D.R. da Costa and E. D. Leonel, Scaling invariance of the diffusion coefficient in a family of two-dimensional Hamiltonian mappings,DOI: http://dx.doi.org/10.1103/PhysRevE.87.062904 Received 23 October 2012; revised 5 December 2012; published 10 June 2013
55. D.F. Tavares, A.D. Araujo, E. D. Leonel, R.N. Costa Filho, Dynamical properties for a mixed Fermi accelerator model, Physica A: Statistical Mechanics and its Applications, Available online 24 May 2013, DOI: http://dx.doi.org/10.1016/j.physa.2013.05.027
56. D.R. da Costa, I. L. Caldas, E. D. Leonel, Dynamical properties for an ensemble of classical particles moving in a driven potential well with different time perturbation, Physics Letters A, Volume 377, Issues 31–33, 30 October 2013, Pages 1814–1821, DOI: http://dx.doi.org/10.1016/j.physleta.2013.05.050
57. E.F. Oliveira, F. C. Lavarda, Structure of P3HT in the solid state, Journal of Polymer Science Part B: Polymer Physics, 2013 DOI: http://dx.doi.org/10.1002/polb.23338
58. J.A. de Oliveira and E. D. Leonel, A rescaling of the phase space for Hamiltonian map: Applications on the Kepler map and mappings with diverging angles in the limit of vanishing action, Applied Mathematics and Computation, Volume 221, 15 September 2013, Pages 32–39 DOI: http://dx.doi.org/10.1016/j.amc.2013.06.045
59. F.J. Caires, A. C. Gigante, D. J. C. Gomes, O. Treu-Filho, M. Ionashiro, Synthesis, thermal behaviour and spectroscopic study of trivalent lanthanide and yttrium(III) α-hydroxyisobutyrates, in solid state,Thermochimica Acta, Available online 11 July 2013, In Press, Accepted Manuscript, DOI: http://dx.doi.org/10.1016/j.tca.2013.06.034
60. D.A. Gálico, G. L. Perpétuo, R.A. E. Castro, O. Treu-Filho, A. O. Legendre, M. S. Galhiane, G. Bannach, Thermoanalytical study of nimesulide and their recrystallization products obtained from solutions of several alcohols, Received: 7 March 2013 / Accepted: 10 June 2013, Journal of Thermal Analysis and Calorimetry, DOI: http://dx.doi.org/10.1007/s10973-013-3294-x
61. A.C. Gigante, F.J. Caires, D.J.C. Gomes, L.S. Lima, O. Treu-Filho, M. Pivatto, M. Ionashiro, Spectroscopic study and thermal behavior of trivalent lanthanides and yttrium (III) chelates of EDTA using TG-DSC, FTIR, and TG-DSC coupled to FTIR,Received: 21 February 2013 / Accepted: 6 June 2013, Journal of Thermal Analysis and Calorimetry, DOI: http://dx.doi.org/10.1007/s10973-013-3284-z
62. D.Z. Carvalho, Günther J.L. Gerhardt, G. Dellagustin, E.L. de Santa-Helena, N. Lemke, A. Z. Segal, S. V. Schönwald, Loss of sleep spindle frequency deceleration in Obstructive Sleep Apnea, Clinical Neurophysiology, Available online 27 July 2013, ISSN 1388-2457, DOI: http://dx.doi.org/10.1016/j.clinph.2013.07.005.
63. de Mendonça M.R., Rizzi L.G., Contessoto V., Leite V.B., Alves N.A., Inferring a Weighted Elastic Network from Partial Unfolding with Coarse-grained Simulations, Proteins: Structure, Function, and Bioinformatics, Accepted Article, DOI: http://dx.doi.org/10.1002/prot.24381
64. da Costa, D. R., C. P. Dettmann, and E. D. Leonel., Circular, Elliptic and Oval Billiards in a Gravitational Field, arXiv preprint arXiv:1308.0362 (2013). http://arxiv.org/pdf/1308.0362.pdf
65. da Costa, Diogo Ricardo, Mário R. Silva, and E. D. Leonel. Escape Beam Statistics and dynamical Properties for a Periodically Corrugated Waveguide., Communications in Nonlinear Science and Numerical Simulation (2013), DOI: http://dx.doi.org/10.1016/j.cnsns.2013.08.009
66. Barra, Carolina V., et al. Synthesis, Cytotoxic Activity and DNA Interaction of Pd (II) Complexes Bearing N’-methyl-3, 5-dimethyl-1-thiocarbamoylpyrazole. Polyhedron (2013). DOI: http://dx.doi.org/10.1016/j.poly.2013.08.040
67. C.P. Dettmann and E. D. Leonel, Periodic Compression of an Adiabatic Gas: Intermittency-enhanced Fermi acceleration, EPL (Europhysics Letters), 2013, 103 40003, DOI: http://dx.doi.org/10.1209/0295-5075/103/40003
68. R.S. Borges, J. Batista Jr, R.B. Viana, A.C. Baetas, E. Orestes, M.A. Andrade, K.M. Honório and A.B.F. da Silva, Understanding the Molecular Aspects of Tetrahydrocannabinol and Cannabidiol as Antioxidants, Molecules 2013, 18, 12663-12674; DOI: http://dx.doi.org/10.3390/molecules181012663
69. A. L. P. Livorati, M. S. Palmero, C. P. Dettmann, I. L. Caldas and E. D. Leonel, Separation of particles leading to decay and unlimited growth of energy in a driven stadium-like billiard, Submitted on 14 Oct, 2013, http://arxiv.org/abs/1310.3615v1
70. D.A. Gálico, B.B.C. Holanda, R. B. Guerra, A. O. Legendre, D. Rinaldo, O. Treu-Filho, G. Bannach, Thermal and Spectroscopic Studies on Solid Ibuprofen Complexes of Lighter Trivalent Lanthanides, Accepted Manuscript 05 Nov, 2013, DOI: http://dx.doi.org/10.1016/j.tca.2013.11.005
71. Batagin-Neto, Augusto; S. Bronze-Uhle, Erika; V. G. Vismara, Marcus; P. Assis, Andrei; A. Castro, Fernando; Geiger, Thomas; C. Lavarda, Francisco; F. O. Graeff, Carlos, Gamma-Ray Dosimetric Properties of Conjugated Polymers in Solution, Current Physical Chemistry, Volume 3, Number 4, December 2013, pp. 431-440(10), DOI; http://dx.doi.org/10.2174/18779468113036660026
72. A.L.P. Livorati, O. Georgiou, C.P. Dettmann and E.D. Leonel, Escape through a Time-dependent Hole in the Doubling Map, 25 December, 2013, arxiv http://arxiv.org/abs/1312.7030v1
73. A. Alves, F. de Campos, M. Dias, J.M.H. da Silva, Searching for Elko Dark Matter Spinors at the CERN LHC, High Energy Physics - Phenomenology (hep-ph), Submitted on 6 Jan 2014, arxiv: http://arxiv.org/abs/1401.1127v1
74. R.B. Viana, A. R. Guimarães, A. R. de Souza, A. B. F. da Silva, Molecular Properties of the PCO Radical: Heat of Formation and the Isomerization Pathways, Journal of Molecular Modeling, 2014 Feb;20(2):2074. DOI: http://dx.doi.org/10.1007/s00894-014-2074-2. Epub 2014 Feb 8.
75. E.D. Leonel, A. L. P. Livorati, A. M. Cespedes, A Theoretical Characterization of Scaling Properties in a Bouncing Ball System,Physica A: Statistical Mechanics and its Applications, Available online 28 February 2014, DOI: http://dx.doi.org/10.1016/j.physa.2014.02.053
76. W.F.Porto, D.O. Nolasco, O.L. Franco, Native and Recombinant Pg-AMP1 Show Different Antibacterial Activity Spectrum but Similar Folding Behavior, Peptides, Available online 26 February 2014, DOI: http://dx.doi.org/10.1016/j.peptides.2014.02.010
77. E de S. Candido, G. da R. Fernandes, S. A. de Alencar, Marlon Henrique e Silva Cardoso, S. M. de F. Lima, V. de J. Miranda, W. F. Porto, D. O. Nolasco, N. G. de Oliveira-Junior, A. E. A de D. Barbosa, R. E. Pogue, T. M. B. Rezende, S. C. Dias, O. L. Franco, Shedding Some Light over the Floral Metabolism by Arum Lily (Zantedeschia aethiopica) Spathe De Novo Transcriptome Assembly, Plos One, March 2014, Vol.9, Issue 3, e90487 Published: March 10, 2014, DOI: http://dx.doi.org/10.1371/journal.pone.0090487
78. D.J.C. Gomes, F.J. Caires, R.C. Silva, O. Treu-Filho, M. Ionashiro, Synthesis, characterization, thermal and spectroscopic studies of solid glycolate of light trivalent lanthanides, except promethium, Thermochimica Acta, In Press, Accepted Manuscript, Available online 30 March 2014, DOI: http://dx.doi.org/10.1016/j.tca.2014.03.032
79. A.R. Albuquerque, A. Bruix, I.M.G. Santos, J.R. Sambrano, and F. Illas, A DFT Study on Ce-doped Anatase TiO: Nature of Ce and Ti Centers Triggered by Oxygen Vacancy Formation, J. Phys. Chem. C, Just Accepted Manuscript, Publication Date (Web): 10 Apr 2014, DOI: http://dx.doi.org/10.1021/jp501757f
80. D.R. da Costa, I. L. Caldas, E. D. Leonel, Phase space properties and chaotic transport for a particle moving in a time dependent step potential well, Applied Mathematics and Computation, Volume 236, 1 June 2014, Pages 215–228, DOI: http://dx.doi.org/10.1016/j.amc.2014.03.021
81. Hoffmam, Zaira B. ; Oliveira, Leandro C. ; Cota, Junio ; Alvarex, Thabata M. ; Diogo, José A. ; Oliveira Neto, Mario ; Citadini, Ana Paula S. ; Leite, Vitor B. P. ; Squina, Fabio M. ; Murakami, Mario T. ; Ruller, Roberto. _Characterization of a Hexameric Exo-Acting GH51 α-l-Arabinofuranosidase from the Mesophilic Bacillus subtilis, DOI: http://dx.doi.org/10.1007/s12033-013-9677-1 .
82. R.M. Ferreira, M. Motta, A. Batagin-Neto, C. F. de O. Graeff, P. N. Lisboa-Filho, F. C. Lavarda, Theoretical Investigation of Geometric Configurations and Vibrational Spectra in Citric Acid Complexes, Received: April 15, 2013; Revised: March 22, 2014, Mat. Res. vol.17 no.3 São Carlos May/June 2014 Epub May 09, 2014, DOI: http://dx.doi.org/10.1590/S1516-14392014005000056
83. A. Batagin-Neto, A. P. Assis, J. F. Lima, C. J. Magon, L. Yan, M. Shao, B. Hu, and C. F.O. Graeff, Light Induced Structural Change in Iridium Complexes Studied by Electron Spin Resonance, J. Phys. Chem. A, Just Accepted Manuscript, Publication Date (Web): May 8, 2014, DOI: http://dx.doi.org/10.1021/jp503831p
84. E.D. Leonel and A. L.P. Livorati, Thermodynamics of a bouncer model: a simplified one-dimensional gas, Preprint submitted to Communications in Nonlinear Science and Numerical Simulation, May 9, 2014, http://arxiv.org/abs/1405.2030v1
85. Í.P. Carusoa, W. Vilegasc, F.P. de Souzaa, M.A. Fosseya, M.L. Cornélio, Binding of antioxidant flavone isovitexin to human serum albumin investigated by experimental and computational assays, Journal of Pharmaceutical and Biomedical Analysis, Available online 22 May 2014, DOI: http://dx.doi.org/10.1016/j.jpba.2014.05.015
86. Vega-Teijido, M. Angel, S.E.C. Maluf, C.R. Bonturi, J.R. Sambrano, and O.N. Ventura. Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1, 2, 4-thiadiazole derivatives, Journal of Molecular Modeling 20, no. 6 (2014): 1-14., DOI: http://dx.doi.org/10.1007/s00894-014-2254-0
87. S.J. de Carvalho, R. M. and A.G. Cherstvy. Critical adsorption of polyelectrolytes onto charged Janus nanospheres, Phys. Chem. Chem. Phys., 2014, Advance Article, DOI: http://dx.doi.org/10.1039/C4CP02207F
88. D.R. da Costa, C.P. Dettmann, E.D. Leonel, Transport and dynamical properties for a bouncing ball model with regular and stochastic perturbations, Communications in Nonlinear Science and Numerical Simulation (2014), DOI: http://dx.doi.org/10.1016/j.cnsns.2014.06.046
89. A.R. Albuquerque, I. M. G. Santos e Júlio R. Sambrano, Propriedades Estruturais e Eletrônicas de Nanofilmes de Tio2 Anatase: Cálculos B3lyp-D em Sistemas Periódicos Bidimensionais, Quim. Nova, Vol. XY, No. 00, 1-6, 200_, Recebido em 23/01/2014; aceito em 14/05/2014; publicado na web em 15/07/2014, http://quimicanova.sbq.org.br/imagebank/pdf/AR14055.pdf
90. R.B. Viana and A.B.F. da Silva, The CH3PH2 and CH3PH isomers: isomerization, hydrogen release, thermodynamic, and spectroscopy properties, J Mol Model (2014) 20:2372, Received: 3 April 2014, Accepted: 29 June 2014, DOI: http://dx.doi.org/10.1007/s00894-014-2372-8
91. R.B. Viana, A.R. de Souza, B.S. Lima-Neto and A.B.F. da Silva, On the stability of the RuCl2(triphenylphosphine)2(amine) complexes: ligand substituent effects of cyclic and acyclic amines, Accepted Manuscript, Polyhedron, Received 3 April 2014, Accepted 9 July 2014, DOI: http://dx.doi.org/10.1016/j.poly.2014.07.028
92. T. A. D. Colman, D. J. C. Gomes, F. J. Caires, O. Treu Filho, R. de C. da Silva and M. Ionashiro, Synthesis, thermal and spectroscopic study of light lanthanide nicotinate, in the solid state, Thermochimica Acta, Received 27-3-2014, Revised 11-6-2014, Accepted 13-6-2014 DOI: http://dx.doi.org/10.1016/j.tca.2014.06.013
93. F. Brusquetti, M. Jansen, C. Barrio-Amorós, M. Segalla and C.F.B. Haddad, Taxonomic review of Scinax fuscomarginatus (Lutz, 1925) and related species (Anura; Hylidae),The Linnean Society of London, Zoological Journal of the Linnean Society, 2014, 171, 783–821. DOI: http://dx.doi.org/10.1111/zoj.12148
94. E.F. Oliveira and F.C. Lavarda, Effect of the length of alkyl side chains in the electronic structure of conjugated polymers, Materials Research, DOI: http://dx.doi.org/10.1590/1516-1439.278814
95. Porto WF, Maria-Neto S, Nolasco DO, Franco OL (2014), Screening and Functional Prediction of Conserved Hypothetical Proteins from Escherichiacoli, J Proteomics Bioinform 7: 203-213. DOI: http://dx.doi.org/10.4172/jpb.1000321
96. D.R. da Costa, D. F. M. Oliveira and E. D. Leonel, Dynamical and statistical properties of a rotating oval billiard, Communications in Nonlinear Science and Numerical Simulation, Volume 19, Issue 6, June 2014, Pages 1926–1934 DOI: http://dx.doi.org/10.1016/j.cnsns.2013.10.007
97. D.T.B. De Salvi, H. da S. Barud, O. Treu-Filho, A.a Pawlicka, R. I. Mattos and E. Raphael, S. J. L. Ribeiro, Preparation, thermal characterization, and DFT study of the bacterial cellulose Triethanolamine system, J Therm Anal Calorim, DOI: http://dx.doi.org/10.1007/s10973-014-3969-y
98. C.G. Oliveira, P. I. da S. Maia, P. C. Souza, F. R. Pavan, C. Q.F. Leite, R. B. Viana, A. A. Batista, O. R. Nascimento and V. M. Deflon, Manganese(II) complexes with thiosemicarbazones as potential anti-Mycobacterium tuberculosis agents, Journal of Inorganic Biochemistry, Volume 132, March 2014, Pages 21–29, DOI: http://dx.doi.org/10.1016/j.jinorgbio.2013.10.011
99. D.F.M. Oliveira and E.D. Leonel, In-flight and collisional dissipation as a mechanism to suppress Fermi acceleration in a breathing Lorentz gas, Chaos 22, 026123 (2012); DOI: http://dx.doi.org/10.1063/1.3697392
100. D. Gouvêa Ladeira and E. D. Leonel, Dynamics of a charged particle in a dissipative Fermi-Ulam model, (Submitted on 11 Dec 2013), Chaotic Dynamics, http://arxiv.org/abs/1312.3160
101. G.J.L. Gerhardt, N. Lemke, D.Z. Carvalho, E.L. de Santa-Helena, S.V. Schonwald, G. Dellagustin and J.L. Rybarczyk Filho, Analysis of EEG Sleep Spindle Parameters fromApnea Patients Using Massive Computing and Decision Tree, SCIENTIA CUM INDUSTRIA, V. 2, N. 1, PP. 15 — 18, 2014
102. A.L.P. Livorati, M. S. Palmero, C. P. Dettmann, I.L. Caldas and E.D. Leonel, Separation of particles leading either to decay or unlimited growth of energy in a driven stadium-like billiard, J. Phys. A: Math. Theor. 47 365101 DOI: http://dx.doi.org/10.1088/1751-8113/47/36/365101
103. V.M. de Oliveira and S.J. de Carvalho, Adsorption of pH-responsive polyelectrolyte chains onto spherical macroions, Eur. Phys. J. E (2014) 37: 75, Communications in Nonlinear Science and Numerical Simulation, DOI: http://dx.doi.org/10.1140/epje/i2014-14075-4
104. D.R. da Costa, A dissipative Fermi-Ulam model under two different kinds of dissipation, Communications in Nonlinear Science and Numerical Simulation, 2014, DOI: http://dx.doi.org/10.1016/j.cnsns.2014.09.006
105. E.F. Oliveira and F. C. Lavarda, Molecular design of new P3HT derivatives: Adjusting electronic energy levels for blends with PCBM, Materials Chemistry and Physics, 2014, DOI: http://dx.doi.org/10.1016/j.matchemphys.2014.09.002
106. A.L.P. Livorati, I. L. Caldas, C.P. Dettmann and E.D. Leonel, Crises in a dissipative Bouncing ball model, 2014, http://arxiv.org/abs/1409.8279v1
107. T.H. Ito, P.C.M. L. Miranda, N.H. Morgon, G. Heerdt, C.A. Dreiss and Edvaldo Sabadini, Molecular Variations in Aromatic Cosolutes: Critical Role in the Rheology of Cationic Wormlike Micelles, 2014, DOI: http://dx.doi.org/10.1021/la502649j
108. R.C. de Andrade, C.F. de Almeida, A.B. de Siqueira, O. Treu-Filho, F.J. Caíres and C.T. de Carvalho, Thermal and spectroscopic study of the 3,4-(methylenedioxy)cinnamate compounds of transition metals in the solid state, Thermochimica Acta, Available online 8 October 2014, DOI: http://dx.doi.org/10.1016/j.tca.2014.10.004
109. O.A. Naranjo-Montoya, L.M. Martins, L C. da Silva-Filho, A. Batagin-Neto and F. C. Lavarda, The Correlation Between Electronic Structure and Antimalarial Activity of Tetrahydropyridines, J. Braz. Chem. Soc., Vol. 00, No. 00, 1-11, 2014, Submitted on: July 29, 2014, Published online: November 11, 2014 DOI: http://dx.doi.org/10.5935/0103-5053.20140263
110. T.A.D. Colman, D.J.C. Gomes, F.J. Caires, O. Treu-Filho, R. de C. da Silva and M. Ionashiro, Synthesis, evolved gas analysis (EGA) during pyrolysis and spectroscopic study of light lanthanide nicotinate in solid state, Journal of Analytical and Applied Pyrolysis, Available online 2 December 2014, DOI: http://dx.doi.org/10.1016/j.jaap.2014.11.021
111. A. Alves, F. de Campos and M. Dias, Searching for Elko dark matter spinors at the CERN LHC, International Journal of Modern Physics A, Vol. 30, No. 1 (2015) 1550006 (13 pages), World Scientific Publishing Company, DOI: http://dx.doi.org/10.1142/S0217751X15500062
112. D. A. Teixeira, M. A. G. Valente Jr., A. V. Benedetti, G. T. Feliciano, S. C. da Silva, and C. S. Fugivara, Experimental and Theoretical Studies of Volatile Corrosion Inhibitors Adsorption on Zinc Electrode, J. Braz. Chem. Soc., Vol. 00, No. 00, 1-17, 2015, DOI: http://dx.doi.org/10.5935/0103-5053.20140296
113. J.A. de Oliveira and E.D. Leonel, Scaling properties and universality in a ratchet system, Eur. Phys. J. Special Topics 223, 2969–2978 (2014), DOI: http://dx.doi.org/10.1140/epjst/e2014-02310-0
114. A.L.P. Livorati, J.A. de Oliveira, D.G. Ladeira, and E.D. Leonel, Time-dependent properties in two-dimensional and Hamiltonian mappings, Eur. Phys. J. Special Topics 223, 2953–2958 (2014), DOI: http://dx.doi.org/10.1140/epjst/e2014-02308-6
115. A. Batagin-Neto, E.S. Bronze-Uhle, C.F.O Graeff, Electronic structure calculations of ESR parameters for melanin units. PCCP. Physical Chemistry Chemical Physics, Advance Article, 2015. DOI: http://dx.doi.org/10.1039/C4CP05256K
116. R.S. Galaverna, G. A. Bataglion, G. Heerdt, G. F. de Sa, R. Daroda, V. S. Cunha, N. H. Morgon and M. N. Eberlin, Are Benzoic Acids Always More Acidic Than Phenols? The Case of ortho-, meta-, and para-Hydroxybenzoic Acids, Article first published online: 18 FEB 2015 DOI: http://dx.doi.org/10.1002/ejoc.201403528
117. Rommel B. Viana, , Albérico B.F. da Silva, Interaction between PH3 and small water clusters: Understanding the electronic and spectroscopic properties, Computational and Theoretical Chemistry, Volume 1059, 1 May 2015, Pages 35–44, DOI: http://dx.doi.org/10.1016/j.comptc.2015.02.007
118. L.C. de Oliveira, V.M. da Silva, F. Colussi, A. D. Cabral, M. de O. Neto, F. M. Squina, W. Garcia, Conformational Changes in a Hyperthermostable Glycoside Hydrolase: Enzymatic Activity Is a Consequence of the Loop Dynamics and Protonation Balance, Published: February 27, 2015, DOI: http://dx.doi.org/10.1371/journal.pone.0118225
119. S.J. de Carvalho, R. Metzler, A. G. Cherstvy, Inverted critical adsorption of polyelectrolytes in confinement, (Submitted on 6 Mar 2015), arXiv:1503.02040 [cond-mat.soft]
120. A.F. Monteiro , J.M. Batista Jr., M. A. Machado, R. P. Severino , E. W. Blanch , V. S. Bolzani , P. C. Vieira , and V. G. P. Severino, Structure and Absolute Configuration of Diterpenoids from Hymenaea stigonocarpa, Publication Date (Web): June 3, 2015, DOI: http://dx.doi.org/10.1021/acs.jnatprod.5b00166
121. F.C. Lavarda, Z. de S. Schiaber, L. de C. D. Aguiar, E. F. Oliveira, D. M. G. Leite, A. Camilo Jr, and J. H. D. da Silva, Electronic structure of a hydrogenated gallium nitride nanoparticle, Article first published online: 17 jul 2015, DOI: http://dx.doi.org/10.1002/pssb.201552333
122. D. Venturini, B. Pastrello, M. L. Zeraik, I. Pauli, A.D. Andricopulo, L.C. Silva-Filho, V.S. Bolzani, N.H. Morgon, A.R. da Souza and V.F. Ximenes, Experimental, DFT and docking simulations of the binding of diapocynin to human serum albumin: induced circular dichroism, DOI: http://dx.doi.org/10.1039/C5RA10960D (Paper) RSC Adv., 2015, 5, 62220-62228
123. D.R. da Costa, C.P. Dettmann, J.A. de Oliveira, and E.D. Leonel, Dynamics of classical particles in oval or elliptic billiards with a dispersing mechanism, Chaos 25, 033109 (2015), DOI: http://dx.doi.org/10.1063/1.4915474
124. S.J. de Carvalho, R. Metzler and A. G. Cherstvy, Inverted critical adsorption of polyelectrolytes in confinement, Soft Matter, 2015,11, 4430, Received 17th March 2015, Accepted 15th April 2015, arXiv preprint arXiv:1503.02040, 2015 , DOI: http://dx.doi.org/10.1039/c5sm00635
125. M. E. F. Pinto, J. M. Batista Jr., J. Koehbach, P. Gaur, A. Sharma, M. Nakabashi, E. M. Cilli, G. M. Giesel, H. Verli, C. W. Gruber, Ewan W. Blanch, J. F. Tavares, M. S. da Silva, C. R. S. Garcia, and V. S. Bolzani, Ribifolin, an Orbitide from Jatropha ribifolia, and Its Potential Antimalarial Activity, J. Nat. Prod., 2015, 78 (3), pp 374–380, Publication Date (Web): February 20, 2015 DOI: http://dx.doi.org/10.1021/np5007668
126. R.B. Viana, A.B.F. da Silva, Electronic properties of the AsCO, AsSiO and AsGeO radicals: Linear or cyclic?, Polyhedron Volume 89, 29 March 2015, Pages 160–167, DOI: http://dx.doi.org/10.1016/j.poly.2015.01.010
127. R.B. Guerra , D.A. Gálico , B.B.C. Holanda , O. Treu-Filho ,A.O. Legendre , G. Bannach, New complexes of lighter trivalent lanthanides with indomethacin anti-inflammatory drug: synthesis, thermal properties and spectroscopic study in the solid state., Available online at www.bjta.iiatbr.org Braz. J. Therm. Anal. Vol. 4 No. 1-2 (2015) 13 – 20, DOI: http://dx.doi.org/10.18362/bjta.v4.i1-2.72
128. F.C. Lavarda, Z. de S. Schiaber, L. de C.D. Aguiar, E.F. Oliveira, D. M. G. Leite, A. Camilo Jr and J. H. D. da Silva, Electronic structure of a hydrogenated gallium nitride nanoparticle, Article first published online: 17 JUL 2015, DOI: http://dx.doi.org/10.1002/pssb.201552333
129. A.L.P. Livorati, C. P. Dettmann, I. L. Caldas, and E. D. Leonel, On the statistical and transport properties of a non-dissipative Fermi-Ulam model, Chaos 25, 103107 (2015), Received 10 April 2015, accepted 31 August 2015, published online 14 September 2015, DOI: http://dx.doi.org/10.1063/1.4930843
130. J.M. Batista Jr. , B. Wang, M. V. Castelli, E. W. Blanchd and S. N. López, Absolute configuration assignment of an unusual homoisoflavanone from Polygonum ferrugineum using a combination of chiroptical methods, Tetrahedron Letters, Received 21 August 2015, Revised 21 September 2015, Accepted 23 September 2015, Available online 26 September 2015 DOI:10.1016/j.tetlet.2015.09.102
131. M.A. Coronado , A. Ullah , L. Sussushi , D. Chaves-Moreira , L. Vuitika , S.S. Veiga b , J. Chahine , M.T. Murakami and R.K. Arni, Structural insights into substrate binding of brown spider venom class II phospholipases D, Current Protein and Peptide Science (Impact Factor: 3.15). 05/2015; 16(8). DOI: http://dx.doi.org/10.2174/1389203716666150505231625
132. Í.P. Caruso, J.M.B. Filho, A.S. de Araújo, F.P. de Souza, M.A. Fossey and M. L. Cornélio, An integrated approach with experimental and computational tools outlining the cooperative binding between 2-phenylchromone and human serum albumin, Food Chemistry, 2015, DOI: http://dx.doi.org/10.1016/j.foodchem.2015.10.027
133. W.F. Porto, D. O. Nolasco, Á.S. Pires, G. R Fernandes, O.L. Franco and S.A. Alencar, HD5 and HBD1 variants' solvation potential energy correlates with their antibacterial activity against escherichia coli, Accepted manuscript online: 13 November 2015, DOI: http://dx.doi.org/10.1016/bip.22763
134. T. Botari, R. Paupitz, P.A. da S. Autreto and D.S. Galvao, Graphene healing mechanisms: A theoretical investigation, Carbon 99 (2016) 302e309, 2015 Elsevier, DOI: http://dx.doi.org/10.1016/j.carbon.2015.11.070
135. E.F. Oliveira, J.C. Roldao, B. Milián-Medina, F.C. Lavarda and J. Gierschner, Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with experimental oligomer series, Chemical Physics Letters, Volume 645, February 2016, Pages 169–173, DOI: http://doi:10.1016/j.cplett.2015.12.059
136. E.F. Oliveira and F.C. Lavarda, Copolymers with similar comonomers: Tuning frontier orbital energies for application in organic solar cells, 2016 Society of Plastics Engineers, Article first published online: 18 JAN 2016, DOI: http://dx.doi.org/10.1002/pen.24275
137. I. Cesarino, R.P. Simões, F.C. Lavarda, A. Batagin-Neto, Electrochemical oxidation of sulfamethazine on a glassy carbon electrode modified with graphene and gold nanoparticles, Electrochimica Acta, Volume 192, 20 February 2016, Pages 8–14, DOI: http://dx.doi.org/10.1016/j.electacta.2016.01.178
138. D.C. Ferreira,M. G. van der Linden, L.C. de Oliveira, J.N. Onuchic and A.F.P. de Araújo, Information and redundancy in the burial folding code of globular proteins within a wide range of shapes and sizes, Accepted manuscript online: 27 January 2016, DOI: http://dx.doi.org/10.1002/prot.2499
139. A.L.C.S. do Nascimento, J.A. Teixeira, W.D.G. Nunes, F.X. Campos, O. Treu-Filho, F.J. Caires, M. Ionashiro, Thermal behavior, spectroscopic study and evolved gas analysis (EGA) during pyrolysis of picolinic acid, sodium picolinate and its light trivalent lanthanide complexes in solid state, Journal of Analytical and Applied Pyrolysis, Available online 15 February 2016
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140. R.F. Sprenger , S.S. Thomasi , A.G. Ferreira , Q.B. Cass and J.M. Batista Junior, Solution-state conformations of natural products from chiroptical spectroscopy: the case of isocorilagin, (Paper) Org. Biomol. Chem., 2016, 14, 3369-3375, DOI: http://dx.doi.org/10.1039/C6OB00049E
141. L.P.M. Zanin, A. S. de Araujo , M. A. Juliano, T. Casella, M.C.L. Nogueira and J.R. Neto, Effects of N-terminus modifications on the conformation and permeation activities of the synthetic peptide L1A, Amino Acids,pp 1-12, DOI: http://dx.doi.org/10.1007/s00726-016-2196-1
142. D.R. da Costa, M Hansen, G. Guarise, R O. Medrano-T and E D. Leonel, The role of extreme orbits in the global organization of periodic regions in parameter space for one dimensional maps, Physics Letters A, Volume 380, Issues 18–19, 22 April 2016, Pages 1610–1614, DOI: http://dx.doi.org/10.1016/j.physleta.2016.02.049
143. R.T. F. de Souza , G.J.L. Gerhardt, S.V. Schönwald, J. L.z Rybarczyk-Filho and N. Lemke, Synchronization and Propagation of Global Sleep Spindles, Plus One, Published: March 10, 2016 DOI: http://dx.doi.org/10.1371/journal.pone.0151369
144. R.B. Viana, G. L.O. Ribeiro, S.F.F. Santos, D.E. Quintero, A. B. Viana, A.B.F. da Silva and R. Moreno-Fuquen, Intramolecular interactions, isomerization and vibrational frequencies of two paracetamol analogues: A spectroscopic and a computational approach, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 162, 5 June 2016, Pages 16–26 DOI: http://dx.doi.org/10.1016/j.saa.2016.02.037
145. J.C. Roldao, E.F. Oliveira and F.C. Lavarda, Electronic structure of polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7) derivatives for organic solar cell applications, Organic Electronics, Volume 33, June 2016, Pages 246–252, DOI: http://dx.doi.org/10.1016/j.orgel.2016.03.029
146. W.F. Porto, D.O. Nolasco, Á.S. Pires, R.W. Pereira, O. L. Franco and S. A. Alencar, Prediction of the Impact of Coding Missense and Nonsense Single Nucleotide Polymorphisms on HD5 and HBD1 Antibacterial Activity against Escherichia coli, Accepted manuscript online: 10 May 2016, DOI: http://dx.doi.org/10.1002/bip.22866
147. V.G. Contessoto, V.M. de Oliveira, S.J. de Carvalho, L.C. Oliveira, and V. B.P. Leite, NTL9 Folding at Constant pH: The Importance of Electrostatic Interaction and pH-Dependence, J. Chem. Theory Comput., Just Accepted Manuscript, Publication Date (Web): June 21, 2016, DOI: http://dx.doi.org/10.1021/acs.jctc.6b00399
148. C.M. Almeida, R. Prioli, B. Fragneaud, L.Z G. Cançado, R. Paupitz, D. S. Galvão, M. De Cicco, M. G. Menezes, C. A. Achete and R. B. Capaz, Giant and Tunable Anisotropy of Nanoscale Friction in Graphene, Scientific Reports 6, Article number: 31569 (2016) Received 16 April 2016, Accepted 13 June 2016, Published online 18 August 2016, DOI: http://dx.doi.org/10.1038/srep31569
149. Rommel B. Viana, Reactivity, vibrational spectroscopy, internal rotation and thermochemical aspects of methylarsine,Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 171, 15 January 2017, Pages 383–394, DOI: http://dx.doi.org/10.1016/j.saa.2016.08.016
150. Í.H. Calisto, M. Furlan, E.W. Blanch and J M. Batista Jr., Raman optical activity of a flavone C-diglycoside: Aqueous solution conformations and absolute configuration, Vibrational Spectroscopy,Available online 8 August 2016 DOI: http://dx.doi.org/10.1016/j.vibspec.2016.08.002
151. R.K. Makiyama, C.A.H. Fernandes, T.R. Dreyer, B.S. Moda, F.F. Matioli, M.R.M. Fontes and I.G. Maia, Structural and thermodynamic studies of the tobacco calmodulin-like rgs-CaM protein, International Journal of Biological Macromolecules, Volume 92, November 2016, Pages 1288–1297, DOI: http://dx.doi.org/10.1016/j.ijbiomac.2016.08.016
152. R.B. Viana, J.J.G. Varela Jr, A.C.M. Tello, R.M.L. Savedra and A.B.F. da Silva, The 1,2-hydrogen shift reaction for monohalogenophosphanes PH2X and HPX (X = F, Cl), Molecular Physics, Page 1-16 | Received 19 May 2016, Accepted 07 Jul 2016, Published online: 29 Jul 2016,DOI: http://dx.doi.org/10.1080/00268976.2016.1213438
153. P.R. Mouro, V. de G. Contessoto, J. Chahine, R.J. de Oliveira and V. Barbanti Pereira Leite, Quantifying Nonnative Interactions in the Protein-Folding Free-Energy Landscape, Biophysical Journal, Volume 111, Issue 2, 26 July 2016, Pages 287–293, DOI: http://dx.doi.org/10.1016/j.bpj.2016.05.041
154. E. F. Oliveira and F. C. Lavarda, Reorganization energy for hole and electron transfer of poly(3-hexylthiophene) derivatives, Polymer, Volume 99, 2 September 2016, Pages 105–111, DOI: http://dx.doi.org/10.1016/j.polymer.2016.07.003
155. R B. Viana, G.L.O. Ribeiro, L.J. Valencia, J.J.G. Varela Jr., A.B. Viana, A.B.F. da Silva and R. Moreno-Fuquen, Vibrational spectroscopy, intramolecular CH⋯O interaction and conformational analysis of 2,5-dimethyl-benzyl benzoate, Journal of Molecular Structure, Volume 1125, 5 December 2016, Pages 649–655, DOI: http://dx.doi.org/10.1016/j.molstruc.2016.07.041
156. M. Dias and C-Y. Lee, Constraints on mass dimension one fermionic dark matter from the Yukawa interaction, Phys. Rev. D 94, 065020 – Published 15 September 2016, DOI: https://doi.org/10.1103/PhysRevD.94.065020
157. C. Bonvin, C. Caprini, R. Sturani and N. Tamanini, The effect of matter structure on the gravitational waveform, arXiv:1609.08093v3 [astro-ph.CO] 10 Feb 2017, Dated: February 13, 2017
158. D.A. Gálico, T.F.C. Fraga-Silva, J. Venturini, G. Bannach, Thermal spectroscopic and in vitro biological studies of the lanthanum complex of naproxen, Thermochimica Acta, Volume 644, 20 November 2016, Pages 43–49, DOI: https://doi.org/10.1016/j.tca.2016.10.007
159. D.L.Z. Caetano, G.V. Bossa, V.M. de Oliveira, M. A. Brown, S.J. de Carvalho and S. May, Role of ion hydration for the differential capacitance of an electric double layer, Physical Chemistry Chemical Physics2016, DOI: https://doi.org/10.1039/C6CP04199J
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