figshare
Browse
POSCAR_zero.txt (7.74 kB)

Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate

Download (0 kB)
dataset
posted on 2015-05-24, 18:40 authored by Andrew Dominic FortesAndrew Dominic Fortes, Ian Wood, Dario Alfe, Eduardo HernándezEduardo Hernández, Matthias Gutmann, Hazel Sparkes

VASP output, zero-pressure athermal relaxation of the ammonium carbonate monohydrate structure.

 

Fortes, A. D., I. G. Wood, D. Alfé, E. R. Hernàndez, M. J. Gutmann, & H. A. Sparkes (2014): Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate Acta Crystallographica B 70(6), 948-962 (doi:10.1107/S205252061402126X)

History

Usage metrics

    Categories

    Licence

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC