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High-temperature dynamical transition in β-lactoglobulin

✍ Scribed by A Orecchini; A Paciaroni


Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
206 KB
Volume
350
Category
Article
ISSN
0921-4526

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The cubic-diamond 6 b-tin phase transition in Si and Ge is studied using modern first-principles techniques based on density-functional theory (DFT) without making use of any experimental inputs. The relevant Gibbs energies, GpY T U À TS pV, are obtained in the quasi-harmonic approximation from stat