ARTICLE
|
doi:10.20944/preprints201806.0418.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
ice XIV; vibrational spectrum; hydrogen bond; CASTEP, first-principles; DFT
Online: 26 June 2018 (12:44:03 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0139.v1
Subject:
Chemistry And Materials Science,
Materials Science And Technology
Keywords:
Silicon clathrates; Electronic structure; Elastic constants; High pressure; Density Functional Theory; Castep
Online: 8 November 2018 (14:08:28 CET)