scholarly journals Calculation of the Aqueous Thermodynamic Properties of Citric Acid Cycle Intermediates and Precursors and the Estimation of High Temperature and Pressure Equation of State Parameters

2009 ◽  
Vol 10 (6) ◽  
pp. 2809-2837 ◽  
Author(s):  
Peter Dalla-Betta ◽  
Mitchell Schulte
RSC Advances ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 5302-5312 ◽  
Author(s):  
Xiankun Liu ◽  
Qijie Feng ◽  
Bin Tang ◽  
Jian Zheng ◽  
Zhou Zheng ◽  
...  

The elastic and thermodynamic properties of tetragonal Be12Ti under high temperature and pressure are investigated by first-principles calculations based on pseudopotential plane-wave DFT within the GGA and quasi-harmonic approximation (QHA).


2014 ◽  
Vol 142 ◽  
pp. 1-14 ◽  
Author(s):  
Xavier Courtial ◽  
Nicolas Ferrando ◽  
Jean-Charles de Hemptinne ◽  
Pascal Mougin

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