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Luis Roy Quispe Corimayhua
@luisroy_2397
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@bessvlai @LatinXChem Thanks for your kind words, Bess! It's exciting to hear that you've also been working on arene binding, including reverse sandwiches. Magnetization is definitely a fascinating aspect of these complexes that's worth exploring. I look forward to sharing more about our work.
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RT @SurajitDas44313: Hi @LatinXChem, presenting my work "Machine Learning Prediction of NMR Chemical Shifts Using Discrete Representation"…
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@joaquinbarroso @LatinXChem Similarly, after performing the CASSCF calculations, the Spin-Orbital Coupling (scalar relativistic effects) and second-order perturbation theory (PT2) must be considered for energy corrections. All this before starting with the magnetic properties.
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RT @dumers97: Hi @LatinXChem, presenting my work ‘Exploring Aromatic Rings with Planar Tetracoordinate Group 13-15 Atoms’ at #LatinXChem24…
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@rgraucrespo @LatinXChem This work was done to corroborate with experimental results, but our final objective of the work is more related to understanding this nature of the magnetic coupling through superexchange from a more quantitative point of view.
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@rgraucrespo @LatinXChem Hello Ricardo. Basically 'communication between maetallic centres' is referring to electronic delocalization, especially in this case, it refers to the superexchange through the diamagnetic bridge.
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@JeremyMCarr @LatinXChem That's right Jeremy. Apparently the graph does not reflect the hyperbolic tendency of the susceptibility due to graphical issues (Computational data). I will take these technical factors into account for future publications.
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@GustavMondragon @LatinXChem Uno de nuestros objetivos esta relacionada a entender el acoplamiento mágnetico y el rol de la deslocalizacion debido al superintercambio entre metales; por lo tanto, contemplar estos factores sera fundamental para un mejor entendimiento de su naturaleza.
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@GustavMondragon @LatinXChem Hola Gustavo. Agradecido con tu comentario y respondiendo tu pregunta: El análisis de la densidad si lo tenemos contemplado ya que este trabajo solo es una parte de una tesis en desarrollo.
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