Thermal Gradient Approach for the Quasi-harmonic...

Journal of Chemical Theory and Computation 2018 / 10

Thermal Gradient Approach for the Quasi-harmonic Approximation and Its Application to Improved Treatment of Anisotropic Expansion

Abraham, Nathan S., Shirts, Michael R.
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00460
Date:
October, 2018
File:
PDF, 2.19 MB
english, 2018
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