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Citation: Tongqi Ye, Yanqing Wang, Qi Wang, Huaiping Cong, Xianghua Kong, Yuewen Ye. Reform of Classical Thermodynamics Curriculum from the Perspective of Computational Chemistry[J]. University Chemistry, ;2025, 40(7): 387-392. doi: 10.12461/PKU.DXHX202409128 shu

Reform of Classical Thermodynamics Curriculum from the Perspective of Computational Chemistry

School of Chemistry and Chemical Engineering, Hefei University of Technology, Hefei 230029, China

Corresponding author: Tongqi Ye, yetq@hfut.edu.cn
Received Date: 29 September 2024
Revised Date: 5 December 2024

With advancements in computer hardware and software, computational chemistry has become an increasingly important research tool in fields such as chemistry and materials science. As a core subject in chemistry, physical chemistry is inherently connected to computational chemistry. Energy functions, including internal energy, enthalpy, and Gibbs free energy, are central topics in both classical and statistical thermodynamics, and they also play a key role in computational chemistry. Therefore, integrating quantum statistical thermodynamics into the teaching of classical thermodynamic energy functions, while highlighting their significance and computational methods in computational chemistry, can enhance students’ understanding of these functions’ essence and applications. This approach lays a strong foundation for students’ future studies in computational chemistry during their undergraduate years.
- Computational chemistry,
- Classical thermodynamics,
- Teaching reform,
- Density functional theory
1. [1]
  Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.; Lindqvist, L. J. Phys. Chem. B 2004, 108, 17886.
2. [2]
3. [3]
4. [4]
5. [5]
  Berry, R. S.; Rice, S. A.; Ross, J. Physical Chemistry, 2nd ed.; Oxford University Press: Oxford, UK, 2000.
6. [6]
  Davis, W. M.; Dykstra, C. E. Physical Chemistry, 2nd ed.; CRC Press: New York, NY, USA, 2011.
7. [7]
8. [8]
  Frisch, M.; Trucks, G.; Schlegel, H.; Scuseria, G.; Robb, M.; Cheeseman, J.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G.; et al. Gaussian 09, revision b.01; Gaussian Inc.: Wallingford, CT, USA, 2010.
9. [9]
  Martini, S. R.; Hartzell, C. J. J. Chem. Educ. 2015, 92, 1201.
10. [10]
  Johnson, L. E.; Engel, T. J. Chem. Educ. 2011, 88, 569.
11. [11]
1. [1]
  Yiying Yang , Dongju Zhang . Elucidating the Concepts of Thermodynamic Control and Kinetic Control in Chemical Reactions through Theoretical Chemistry Calculations: A Computational Chemistry Experiment on the Diels-Alder Reaction. University Chemistry, 2024, 39(3): 327-335. doi: 10.3866/PKU.DXHX202309074
2. [2]
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3. [3]
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4. [4]
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5. [5]
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6. [6]
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7. [7]
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9. [9]
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13. [13]
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15. [15]
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16. [16]
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17. [17]
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18. [18]
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20. [20]
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