What is it about?
This work gives an ultimate explanation of phase transition in molecular crystal of L-serine under pressure. Computational study in relation to experimental results gives an idea of reasons for phase transition at high pressures - from macro to micro level. Thermodynamics and detailed molecular changes
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Why is it important?
Understanding reasons for phase transitions at high-pressures is a first step for understanding the mechanism.
Perspectives
Suggested method is a powerfull tool for understanding phase transition reasons in other organic crystalline materials
Dr Denis A. Rychkov
Novosibirsk State University, ISSC SB RAS
Read the Original
This page is a summary of: Pressure-driven phase transition mechanisms revealed by quantum chemistry: l-serine polymorphs, Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry,
DOI: 10.1039/c6cp07721h.
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