Search Results - "Costa, T C"

Photoinduced Oxidation Reactions at the Air–Water Interface by Anglada, Josep M, Martins-Costa, Marilia T. C, Francisco, Joseph S, Ruiz-López, Manuel F

“…Chemistry on water is a fascinating area of research. The surface of water and the interfaces between water and air or hydrophobic media represent asymmetric…”
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The Structure of Carbon Dioxide at the Air‐Water Interface and its Chemical Implications by Martins‐Costa, Marilia T. C., Ruiz‐López, Manuel F.

“…The efficient reduction of CO2 into valuable products is a challenging task in an international context marked by the climate change crisis and the need to…”
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Reactivity of Atmospherically Relevant Small Radicals at the Air-Water Interface by Martins-Costa, Marilia T. C., Anglada, Josep M., Francisco, Joseph S., Ruiz-Lopez, Manuel F.

“…A fish out of water: The chemical properties at the air–water interface of the atmospherically important free radicals HO2. and O2.− were investigated by means…”
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Isoprene Reactivity on Water Surfaces from ab initio QM/MM Molecular Dynamics Simulations by Martins‐Costa, Marilia T. C., Ruiz‐López, Manuel F.

“…Isoprene is the most abundant volatile organic compound in the atmosphere after methane. While gas‐phase processes have been widely studied, the chemistry of…”
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Tight electrostatic regulation of the OH production rate from the photolysis of hydrogen peroxide adsorbed on surfaces by Ruiz-López, Manuel F., Martins-Costa, Marilia T. C., Francisco, Joseph S., Angladad, Josep M.

“…Recently, experimental and theoretical works have reported evidence indicating that photochemical processes may significantly be accelerated at heterogeneous…”
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Vibrational Spectroscopy in Solution through Perturbative ab Initio Molecular Dynamics Simulations by Bistafa, Carlos, Kitamura, Yukichi, Martins-Costa, Marilia T. C, Nagaoka, Masataka, Ruiz-López, Manuel F

“…We have developed a method that allows computing the vibrational spectra at a high quantum mechanical level for molecules in solution or other complex systems…”
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Reactivity of Volatile Organic Compounds at the Surface of a Water Droplet by Martins-Costa, Marilia T. C, Anglada, Josep M, Francisco, Joseph S, Ruiz-Lopez, Manuel F

“…Knowledge of the role of water droplets and aerosols in atmospheric chemistry is crucial to significantly improve our understanding of global warming and air…”
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Reaching multi‐nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling by Martins‐Costa, Marilia T. C., Ruiz‐López, Manuel F.

“…We report an enhanced sampling technique that allows to reach the multi‐nanosecond timescale in quantum mechanics/molecular mechanics molecular dynamics…”
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Osmotic regulators in cowpea beans plants under water deficiency by Martins, J T S, Costa, T C, Machado, L C, Ferreira, R L C, Nascimento, V R, Braga, D G, Brito, A E A, Nogueira, G A S, Souza, L C, Medeiros, J C A, Silva, T M, Jesus, K M, Freitas, J M N, Okumura, R S, Oliveira Neto, C F

“…Cowpea is a leguminous plant belonging to the fabaceae family cultivated in the North and Northeast regions of Brazil, with productive potential. Among the…”
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Amino Acid Capture by Aqueous Interfaces. Implications for Biological Uptake by Martins-Costa, Marilia T. C., Ruiz-Lopez, Manuel F.

“…The interactions of natural amino acids with water–hydrophobic interfaces are central to the control of key biological processes, such as passive transport,…”
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A New Mechanism of Acid Rain Generation from HOSO at the Air–Water Interface by Ruiz-López, Manuel F, Martins-Costa, Marilia T. C, Anglada, Josep M, Francisco, Joseph S

“…The photochemistry of SO2 at the air–water interface of water droplets leads to the formation of HOSO radicals. Using first-principles simulations, we show…”
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Geothermal potential of Portuguese granitic rock masses: lessons learned from deep boreholes by Gomes, L. M. Ferreira, Guedes, J. Ferreira, da Costa, T. C. Gomes, Ferreira, P. J. Coelho, Trota, A. P. Neves

“…The northern part of Portugal is made of granitic large outcrops where a huge number of thermal sulphurous water springs can be found, located in the…”
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Photochemistry of SO2 at the Air–Water Interface: A Source of OH and HOSO Radicals by Martins-Costa, Marilia T. C, Anglada, Josep M, Francisco, Joseph S, Ruiz-López, Manuel F

“…The photochemistry of sulfur dioxide in the near UV–vis energy range has been studied in aqueous environments. The combination of previously reported…”
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The Aqueous Surface as an Efficient Transient Stop for the Reactivity of Gaseous NO2 in Liquid Water by Martins-Costa, Marilia T. C, Anglada, Josep M, Francisco, Joseph S, Ruiz-López, Manuel F

“…The heterogeneous reaction of NO2 with water on diverse surfaces is broadly considered as a possible source of atmospheric HONO in dark conditions, but the…”
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Application of a Zero-Valent Iron/Cork as Permeable Reactive Barrier for In Situ Remediation of Phenanthrene in Soil by Álvaro G. P. Galvão, Letícia G. A. Costa, Emily C. T. de A. Costa, Djalma R. da Silva, Carlos A. Martínez-Huitle, Elisama Vieira dos Santos

“…This paper proposes an eco-efficient treatment technology for removing phenanthrene (PHE) from kaolinite soil, incorporating a permeable reactive barrier (PRB)…”
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A damage phase-field model for fractional viscoelastic materials in finite strain by da Costa-Haveroth, T. C., Haveroth, G. A., Bittencourt, M. L., Boldrini, J. L.

“…This paper proposes a thermodynamically consistent phase-field damage model for viscoelastic materials following the strategy developed by Boldrini et al…”
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Simulation of amino acid diffusion across water/hydrophobic interfaces by Martins-Costa, Marilia T C, Ruiz-López, Manuel F

“…The mechanism of amino acid transfer across water/hydrophobic interfaces has important biological relevance but is poorly understood. Combined QM/MM…”
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Theoretical Investigation of the Photoexcited NO2+H2O reaction at the Air–Water Interface and Its Atmospheric Implications by Martins‐Costa, Marilia T. C., Anglada, Josep M., Francisco, Joseph S., Ruiz‐López, Manuel F.

“…The atmospheric role of photochemical processes involving NO2 beyond its dissociation limit (398 nm) is controversial. Recent experiments have confirmed that…”
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Vibrational Sum-Frequency Generation Spectroscopy in the Energy Representation from Dual-Level Molecular Dynamics Simulations by Martins-Costa, Marilia T. C, Ruiz-López, Manuel F

“…We report a cost-effective molecular dynamics approach to calculate sum-frequency generation (SFG) vibrational spectra of molecular species at liquid…”
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Correction to: A damage phase-field model for fractional viscoelastic materials in finite strain by da Costa-Haveroth, T. C., Haveroth, G. A., Bittencourt, M. L., Boldrini, J. L.

“…A Correction to this paper has been published: 10.1007/s00466-022-02145-2…”
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