Acta Crystallographica Section C
Acta Crystallographica
Section C
STRUCTURAL CHEMISTRY
IUCr
IT
WDC
search IUCr Journals
home
archive
editors
for authors
for readers
submit
subscribe
open access
journal menu
home
archive
editors
for authors
for readers
submit
subscribe
open access
computational materials discovery
Share
Share
Issue contents
Article statistics
Download citation
Format
BIBTeX
EndNote
RefMan
Refer
Medline
CIF
SGML
Text
Plain Text
Download PDF of article
Acta Cryst.
(2014).
C
70
,
112-117
https://doi.org/10.1107/S2053229613032324
Download PDF of article
Download citation
Format
BIBTeX
EndNote
RefMan
Refer
Medline
CIF
SGML
Text
Plain Text
Article statistics
Issue contents
Share
Crystal structure prediction and hydrogen-bond symmetrization of solid hydrazine under high pressure: a first-principles study
H.-D. Zhang
,
S.-K. Zheng
,
X.-L. Jin
,
S.-Q. Jiang
,
Z. He
,
B.-B. Liu
and
T. Cui
Three crystal structures of hydrazine under high pressure have been found, including the reported experimental phase. Pressure-induced hydrogen-bond symmetrization occurs at 235 GPa during the
Cc
C
2/
c
transition.
Keywords:
computational materials discovery
;
crystal structure prediction
;
hydrazine
;
high-pressure modelling
;
hydrogen bonding
;
USPEX
.
Read article
Similar articles
Follow Acta Cryst. C
E-alerts
Twitter
Facebook
RSS