Universität Bonn

Physical and Theoretical Chemistry

03. May 2021

Calculation of absolute molecular entropies and heat capacities Calculation of absolute molecular entropies and heat capacities

Using quantum mechanical methods, they show that calculation of absolute molecular entropies and heat capacities can be made simple!

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#ChemSciPicks highlights this work from P. Pracht and S. Grimme. Using quantum mechanical methods, they show that calculation of absolute molecular entropies and heat capacities can be made simple! Read for free here http://ow.ly/Q4A650Eob9H.

An artikel about this paper from Chemistry World: https://www.chemistryworld.com/news/easy-and-efficient-entropies-for-everyone/4013511.article.

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