Ab initio simulations of &#945;- and ß-ammonium carbamate (NH4·NH2CO2), and the thermal expansivity of deuterated &#945;-ammonium carbamate from 4.2 to 180âK by neutron powder diffraction.

Howard, Christopher M; Wood, Ian G; Knight, Kevin S; Fortes, A Dominic

Ab initio simulations of α- and ß-ammonium carbamate (NH₄·NH₂CO₂), and the thermal expansivity of deuterated α-ammonium carbamate from 4.2 to 180âK by neutron powder diffraction.

Howard, Christopher M; Wood, Ian G; Knight, Kevin S; Fortes, A Dominic.

Afiliação

Howard CM; Bayerisches Geoinstitut (BGI), University of Bayreuth, 95447 Bayreuth, Germany.
Wood IG; Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom.
Knight KS; Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom.
Fortes AD; Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom.

Acta Crystallogr B Struct Sci Cryst Eng Mater ; 78(Pt 3 Pt 2): 459-475, 2022 Jun 01.

Article em En | MEDLINE | ID: mdl-35702963

Assuntos

Dióxido de Carbono; Nêutrons; Carbamatos; Difração de Pó; Pós

Palavras-chave

DFT; ammonium carbamate; negative linear compressibility; neutron diffraction; powder diffraction; thermal expansion

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Dióxido de Carbono / Nêutrons Idioma: En Revista: Acta Crystallogr B Struct Sci Cryst Eng Mater Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Alemanha

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