Taamalli Sonia

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Taamalli Sonia

Taamalli Sonia

@TaamalliS

Research Engineer @univ_lille @PC2A_umr8522 #atmoschem 0D/3D modelling #compchem #halogens #pesticides #MDsimulation #Physics, #FLouisGroup

University of Lille, France Katılım Haziran 2021
1.4K Takip Edilen898 Takipçiler
Oscar N. Ventura
Oscar N. Ventura@ONVentura·
I am proud to say that our first paper of this year has been accepted in the Journal of Physical Chemistry A. This is our first collaboration with Prof. Florent Louis's (@FlorentLouis59) group at the University of Lille, France. The Selenium Task Force advances at full speed. Keep posted. "A Theoretical Study of the Reaction of Hydrogen Selenide with the Cl• Atom and the •OH Radical, and Differences with the Behavior of Other Hydrogen Chalcogenides"
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Duy-Quang Dao
Duy-Quang Dao@duyquang_dao·
Excited to share that our first-year PhD student has obtained a Mitacs award from Concordia University (Montreal, Canada). This award allows him to go to Concordia to work on and learn more about MD, allowing us to solve the reaction dynamics in the environmental chemistry.
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Jacinto Sandoval Lira
Jacinto Sandoval Lira@jsandovallira·
@TaamalliS @LatinXChem @joaquinbarroso @uthuejotzingo 2.-This discrepancy can be explained by the conformational complexity of non-leaving groups, which effectively hinders the entry of the HO⁻ group. This restriction leads to an increase in activation energy, resulting in a drastic change in the rate constant.
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Taamalli Sonia
Taamalli Sonia@TaamalliS·
@sug4rcube @LatinXChem Thank you for your prompt reply. How did you select the concentrations and experimental conditions for the adsorption tests ?
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Mayte L. Castillo
Mayte L. Castillo@maytecasst·
@TaamalliS @LatinXChem … , on the other hand in higher energies it has a lower attenuation coefficient, this can be seen in the attenuation comparison between lead and calcium.
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WilfredEsp
WilfredEsp@wilfredesp·
@TaamalliS @LatinXChem Hi!! Thanks for your question. We made a benchmark from the degradation products of this molecule, where we tested several methods coupled a different basis set (Pople and Dunning). In fact, the work has already been published
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