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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: | |
Price: | FREE |
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