Theoretical investigation of xenon-hydrogen solids under pressure usingab initioDFT andGWcalculations

Ab initiorandom structure searching

(2011) Chris J Pickard et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic structure and metalization of a silane-hydrogen system under high pressure investigated using density functional and GW calculations

(2010) M. Ramzan et al.   PHYSICAL REVIEW B

Pressure-induced behavior of the hydrogen-dominant compoundSiH4(H2)2from first-principles calculations

(2010) Xing-Qiu Chen et al.   PHYSICAL REVIEW B

Silane plus molecular hydrogen as a possible pathway to metallic hydrogen

(2010) Y. Yao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Stable phases of iron at terapascal pressures

(2009) Chris J Pickard et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Crystal Structure of Ammonia Monohydrate Phase II

(2009) A. Dominic Fortes et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pressure-induced bonding and compound formation in xenon–hydrogen solids

(2009) Maddury Somayazulu et al.   Nature Chemistry

Novel Pressure-Induced Interactions in Silane-Hydrogen

(2009) Timothy A. Strobel et al.   PHYSICAL REVIEW LETTERS

High pressure chemistry in the H2-SiH4 system

(2009) S. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Highly compressed ammonia forms an ionic crystal

(2008) Chris J. Pickard et al.   NATURE MATERIALS