2017

PUBLICACIONES 2017

Tuning the Morphological, Optical, and Antimicrobial Properties of alpha-Ag2WO4 Microcrystals Using Different Solvents

C.C. de Foggi, R.C. de Oliveira, M.T. Fabbro, C.E. Vergani, J. Andres, E. Longo and A.L. Machado

Crystal Growth & Design  2017  (17)  6239-6246

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Mechanism of photoluminescence in intrinsically disordered CaZrO3 crystals: First principles modeling of the excited electronic states

M. Carvalho Oliveira, L. Gracia, M. de Assis, I.L. Viana Rosa, M.F. do Carmo Gurgel, E. Longo and J. Andres

Journal of Alloys and Compounds  2017  (722)  981-995

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Computational Modeling for the Ag Nanoparticle Coalescence Process: A Case of Surface Plasmon Resonance

G.M. Faccin, M.A. San-Miguel, J. Andres, E. Longo and E.Z. da Silva

JOURNAL OF PHYSICAL CHEMISTRY C  2017  (121)  7030-7036

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Mechanism of Antibacterial Activity via Morphology Change of alpha-AgVO3: Theoretical and Experimental Insights

R.C. de Oliveira, C.C. de Foggi, M.M. Teixeira, M.D. Penha da Silva, M. Assis, E.M. Francisco, B.N. Alves da Silva Pimentel, P.F. dos Santos Pereira, C.E. Vergani, A.L. Machado, J. Andres, L. Gracia and E. Longo

Acs Applied Materials & Interfaces  2017  (9)  11472-11481

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Curly arrows, electron flow, and reaction mechanisms from the perspective of the bonding evolution theory

J. Andres, P. Gonzalez-Navarrete, V. Sixte Safont and B. Silvi

Physical Chemistry Chemical Physics  2017  (19)  29031-29046

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On the outside looking in: rethinking the molecular mechanism of 1,3-dipolar cycloadditions from the perspective of bonding evolution theory. The reaction between cyclic nitrones and ethyl acrylate

A.I. Adjieufack, I.M. Ndassa, I. Patouossa, J.K. Mbadcam, V.S. Safont, M. Oliva and J. Andres

Physical Chemistry Chemical Physics  2017  (19)  18288-18302

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The interplay between morphology and photocatalytic activity in ZnO and N-doped ZnO crystals

G. Byzynski, C. Melo, D.P. Volanti, M.M. Ferrer, A.F. Gouveia, C. Ribeiro, J. Andres and E. Longo

Materials & Design  2017  (120)  363-375

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First-Principles Study on Polymorphs of AgVO3: Assessing to Structural Stabilities and Pressure-Induced Transitions

A. Beltran, L. Gracia, J. Andres and E. Longo

JOURNAL OF PHYSICAL CHEMISTRY C  2017  (121)  27624-27642

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Synthesis and evaluation of alpha-Ag2WO4 as novel antifungal agent

C.C. Foggi, M.T. Fabbro, L.P.S. Santos, Y.V.B. de Santana, C.E. Vergani, A.L. Machado, E. Cordoncillo, J. Andres and E. Longo

Chemical Physics Letters  2017  (674)  125-129

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Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations

E.C.M. Nascimento, M. Oliva, K. swiderek, J.B.L. Martins and J. Andres

Journal of Chemical Information and Modeling  2017  (57)  958-976

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Synthesis of Cuboctahedral CeO2 Nanoclusters and Their Assembly into Cuboid Nanoparticles by Oriented Attachment

S. Maya-Johnson, L. Gracia, E. Longo, J. Andres and E.R. Leite

Chemnanomat  2017  (3)  228-232

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Uncovering the metastable gamma-Ag2WO4 phase: a joint experimental and theoretical study

R.A. Roca, P.S. Lemos, L. Gracia, J. Andres and E. Longo

Rsc Advances  2017  (7)  5610-5620

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alpha-Ag2-2xZnxWO4 (0 <= x <= 0.25) Solid Solutions: Structure, Morphology, and Optical Properties

P.F.S. Pereira, C.C. Santos, A.F. Gouveia, M.M. Ferrer, I.M. Pinatti, G. Botelho, J.R. Sambrano, I.L.V. Rosa, J. Andres and E. Longo

Inorganic Chemistry  2017  (56)  7360-7372

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An experimental and theoretical investigation on the optical and photocatalytic properties of ZnS nanoparticles

F.A. La Porta, A.E. Nogueira, L. Gracia, W.S. Pereira, G. Botelho, T.A. Mulinari, J. Andres and E. Longo

Journal of Physics and Chemistry of Solids  2017  (103)  179-189

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A bonding evolution analysis for the thermal Claisen rearrangement: an experimental and theoretical exercise for testing the electron density flow

P. Gonzalez-Navarrete, J. Andres and V.S. Safont

Physical chemistry chemical physics : PCCP  2017  (20)  535-541

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A novel approach to obtain highly intense self-activated photoluminescence emissions in hydroxyapatite nanoparticles

T.R. Machado, J.C. Sczancoski, H. Beltran-Mir, I.C. Nogueira, M.S. Li, J. Andres, E. Cordoncillo and E. Longo

Journal of Solid State Chemistry  2017  (249)  64-69

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Photoluminescent properties of ZrO2: Tm3+, Tb3+, Eu3+ powdersd-A combined experimental and theoretical study

L.X. Lovisa, J. Andres, L. Gracia, M.S. Li, C.A. Paskocimas, M.R.D. Bomio, V.D. Araujo, E. Longo and F.V. Motta

Journal of Alloys and Compounds  2017  (695)  3094-3103