Document details

On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures

Author(s): Riganelli, Antonio cv logo 1 ; Prudente, Frederico V. cv logo 2 ; Varandas, António J. C. cv logo 3

Date: 2001

Persistent ID: http://hdl.handle.net/10316/10411

Origin: Estudo Geral - Universidade de Coimbra


Description
We report a comparative study of the vibrational and rovibrational partition functions using several quantum and classical statistical mechanics approaches. The calculations refer to H2, but the conclusions are anticipated to be valid also for larger systems. http://dx.doi.org/10.1021/jp011330o
Document Type Article
Language English
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