Can We Predict the Pressure Induced Phase Transition of Urea? Application of Quantum Molecular Dynamics

Crystalline urea undergoes polymorphic phase transition induced by high pressure. Form I, which is the most stable form at normal conditions and Form IV, which is the most stable form at 3.10 GPa, not only crystallize in various crystal systems but also differ significantly in the unit cell dimensio...

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Detalles Bibliográficos
Autores principales: Mazurek, Anna, Szeleszczuk, Łukasz, Pisklak, Dariusz Maciej
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7180756/
https://www.ncbi.nlm.nih.gov/pubmed/32235582
http://dx.doi.org/10.3390/molecules25071584

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7180756/
https://www.ncbi.nlm.nih.gov/pubmed/32235582
http://dx.doi.org/10.3390/molecules25071584

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