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Ab initio simulations of α- and β-ammonium carbamate (NH(4)·NH(2)CO(2)), and the thermal expansivity of deuterated α-ammonium carbamate from 4.2 to 180 K by neutron powder diffraction

Experimental and computational studies of ammonium carbamate have been carried out, with the objective of studying the elastic anisotropy of the framework manifested in (i) the thermal expansion and (ii) the compressibility; furthermore, the relative thermodynamic stability of the two known polymorp...

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Detalles Bibliográficos
Autores principales: Howard, Christopher M., Wood, Ian G., Knight, Kevin S., Fortes, A. Dominic
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9254591/
https://www.ncbi.nlm.nih.gov/pubmed/35702963
http://dx.doi.org/10.1107/S2052520622002645

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