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Tutorial #9 Descriptores Termodinámicos PDF

9 Pages·2021·English
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by ['ALDAIR DE LA CRUZ PERTUZ']| 2021| 9 pages| English

About Tutorial #9 Descriptores Termodinámicos

El tutorial presenta los pasos para calcular descriptores termodinámicos usando el método PM6 para 5 moléculas involucradas en 2 reacciones. Los cálculos determinan propiedades como espectros IR y valores de entalpía y energía libre para evaluar espontaneidad. La reacción 2 es más probable al ser exergonica y exotérmica.

Detailed Information

Author:['ALDAIR DE LA CRUZ PERTUZ']
Publication Year:2021
Pages:9
Language:English
Format:PDF
Price:FREE
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