Article ; Online: Ab initio simulations of α- and β-ammonium carbamate (NH
Acta crystallographica Section B, Structural science, crystal engineering and materials
2022 Volume 78, Issue Pt 3 Pt 2, Page(s) 459–475
Abstract: 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 ... ...
Abstract | 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 polymorphs has been evaluated computationally. Using high-resolution neutron powder diffraction data, the crystal structure of α-ammonium carbamate (ND |
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MeSH term(s) | Carbamates ; Carbon Dioxide ; Neutrons ; Powder Diffraction ; Powders |
Chemical Substances | Carbamates ; Powders ; Carbon Dioxide (142M471B3J) ; carbamic acid (O0UC6XOS4H) |
Language | English |
Publishing date | 2022-04-30 |
Publishing country | England |
Document type | Journal Article |
ZDB-ID | 2020841-8 |
ISSN | 2052-5206 ; 1600-5740 ; 1600-8650 ; 2052-5192 |
ISSN (online) | 2052-5206 ; 1600-5740 ; 1600-8650 |
ISSN | 2052-5192 |
DOI | 10.1107/S2052520622002645 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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