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Quasi-harmonic approximation

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2 results in Keywords: Quasi-harmonic approximation

Theoretical and Computational Chemistry

Correlating Negative Thermal Expansion and Thermal Conductivity in Two-dimensional Carbon-based Materials

Soumya Mondal, Ayan Datta

Version 1 posted 01 October 2024

53

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Theoretical and Computational Chemistry

Pressure Induced Rhombohedral Phase in ScF3 shows Enhanced Negative Thermal Expansion

Soumya Mondal, Shovan Das, Ayan Datta

Version 1 posted 01 October 2024

58

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