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Reactivity of Alkyl Polyhalides toward Granular Iron: Development of QSARs and Reactivity Cross Correlations for Reductive Dehalogenation

Related publications (34)

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Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction: Electron Affinity as an Activity Descriptor

Juliette Veronique Schleicher, Ganna Gryn'ova

Heteroatom-doped polyaromatic hydrocarbons (or nanographenes) are promising molecular electrocatalysts for the oxygen reduction reaction (ORR). Here, we use density functional theory to investigate the first step of the ORR pathway (chemisorption) for a se ...

AMER CHEMICAL SOC2023

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Saliency models are image-based prediction models that estimate human visual attention. Such models, when applied to architectural spaces, could pave the way for design decisions where visual attention is taken into account. In this study, we tested the pe ...

2023

Point clouds are effective data structures for the rep- resentation of three-dimensional media and hence adopted in a wide range of practical applications. In many cases, the portrayed data is expected to be visualized by humans. After acquisition, point c ...

2023

The influence of chemical composition, aerosol acidity, and metal dissolution on the oxidative potential of fine particulate matter and redox potential of the lung lining fluid

Athanasios Nenes, Andrea Mario Arangio

Air pollution is a major environmental health risk and it contributes to respiratory and cardiovascular diseases and excess mortality worldwide. The adverse health effects have been associated with the inhalation of fine particulate matter (PM2.5) and indu ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Microscopic Picture of the Solvent Reorganization During Electron Transfer to Flavin in Water

Murat Kiliç

The redox potential of molecular species is largely modulated by its molecular environment so that a change of the environment will lead to a different redox potential. However, a detailed molecular picture of reorganization of the environment upon reducti ...

AMER CHEMICAL SOC2019

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Large frequency shift errors induced by cross-correlation are investigated in Rayleigh-based distributed sensing. A least mean square method is proposed to reduce those errors, thus increasing the reliability and extending the measurand range. ...

Optical Society of America2018

Characterization of Mechanical Properties of Micro/Nano Beams

Soumya Yandrapalli

In this project, characterization of a series of previously fabricated Aluminium clamped-clamped micro beams and cantilevers by electrical measurements in order to investigate the effects of scaling down on mechanical properties of micro/nano structures is ...

2016

The order of reactivity (X = F < Cl < Br < I) determined for the reaction of the model nucleophile pinenylpotassium with halotrimethylsilanes XSi(CH3)(3) in hexane and with halotriisopropylsilanes XSi(iC(3)H(7))(3) in tetrahydrofuran supports a single-step ...

Arkat Usa Inc2015

Power-Efficient Joint Compressed Sensing of Multi-Lead ECG Signals

David Atienza Alonso, Pierre Vandergheynst, Giovanni Ansaloni, Hossein Mamaghanian

Compressed Sensing (CS) is a new acquisition- compression paradigm for low-complexity energy-aware sensing and compression. By merging both sampling and compression, CS is very promising to develop practical ultra-low power read- out systems for wireless b ...

IEEE Press2014

Incremental model identification of gas-liquid reaction systems

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Identification of kinetic models is an important task for monitoring, control and optimization of industrial processes. Kinetic models are often based on first principles, which describe the evolution of the states – numbers of moles, temperature and volum ...

2013