High temperature partition function – a key role of ro-vibrational coupling and inflection points
Author:
Affiliation:
1. Institute of Physics, Department of Mathematics and Physics, University of Szczecin, Szczecin, Poland
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2017.1334132
Reference34 articles.
1. The Dance of Molecules: New Dynamical Perspectives on Highly Excited Molecular Vibrations
2. Perspective: Accurate ro-vibrational calculations on small molecules
3. High temperature partition functions and thermodynamic data for ammonia and phosphine
4. Methane high-temperature partition function from contact transformations and variational calculations
5. The ratios of partition functions at different temperatures – Sensitivity to potential energy shape II
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2. Ro-vibrational coupling in high temperature thermochemistry of the BBr molecule;Chemical Physics Letters;2018-01
3. Predictions of entropy for diatomic molecules and gaseous substances;Chemical Physics Letters;2018-01
4. Entropy of gaseous boron monobromide;Chemical Physics Letters;2017-10
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