Anaid Flores retweetou
Anaid Flores
50 posts

Anaid Flores
@annychemy
Científica y psiconauta. Multipotencial.
Entrou em Mart 2023
108 Seguindo36 Seguidores
Anaid Flores retweetou
Anaid Flores retweetou

🚨 ¡Marcha con Científicas Mexicanas A.C. este #8M2025!
Monumento a la Revolución📍
13:30 Reunión
14:00 Salida
💜 Contingente separatista para mujeres (cis y trans), personas no binarias e infancias 💜
📝 Regístrate aquí : forms.gle/s4kFYA5FRrbNfh…
#NuncaMásCienciaSinNosotras

Español
Anaid Flores retweetou
Anaid Flores retweetou
Anaid Flores retweetou

From #LatinXChem, we celebrate the talent and perseverance of women and girls in science. To all of our researchers, your contribution is invaluable. There is still a long way to go to close the gender gap in STEM, but every girl who dreams of science brings us one step closer.

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Anaid Flores retweetou
Anaid Flores retweetou

More than 40% of postdoctoral researchers leave academia, according to a study of some 45,500 researchers’ careers
go.nature.com/42tQBro
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Anaid Flores retweetou

Some words of wisdom from this year's chemistry laureate David Baker, whose work has made it possible to design new proteins from scratch.
Read more and join us on tomorrow 8 December to hear his Nobel Prize lecture: nobelprize.org/prizes/chemist…

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Anaid Flores retweetou

@jotoldo @LatinXChem the three Cartesian components of the dipole moment of the complex must match the three Cartesian components of the dipole moment of the frozen complex. This corresponds to the observable, a one-directional charge transfer between fragments. :)
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@jotoldo @LatinXChem Thanks for your question! We have shown that the charge-transfer process can be described using the dipole moment as a reference. Therefore, the energy of the charge transfer-free complex can be obtained by minimizing the energy of the complex subject to three constraints: ...
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🤗Excited to present: The dipole moment and charge transfer in the Hydrogen Bond, at @LatinXChem #LatinXChem24 #LatinXChemComp #Comp143 We use measurable dipole moments to accurately quantify charge transfer, providing a detailed assessment of its impact on the interaction energy

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@rgraucrespo @LatinXChem Dr. Javier Carmona-Espíndola is currently working on an energy decomposition analysis using observables, which will provide a more comprehensive understanding of hydrogen bonds! :D
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@rgraucrespo @LatinXChem Thank for your observations! We agree with your point. Until now, our main focus has been to test this new methodology for obtaining charge transfer through an observable like the dipole moment. However, ...
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@rgraucrespo @LatinXChem In this charge transfer-free energy, the very small contribution of charge transfer that may be present in higher order terms is neglected. :)
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@rgraucrespo @LatinXChem the dipole moment of the complex are the same as the three Cartesian components of the dipole moment of the frozen complex, which corresponds to the observable, one directional charge transfer between the fragments.
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Anaid Flores retweetou

“Hi @LatinXChem, presenting my work "Free energy determination in molecular crystals using ab initio methods" #LatinXChem24 #LatinXChemComp #Comp149

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