High-pressure ionic and molecular phases of ammonia within density functional theory

High pressure ionic and molecular crystals of ammonia monohydrate within density functional theory

(2012) Gareth I.G. Griffiths et al.   JOURNAL OF CHEMICAL PHYSICS

Persistence and Eventual Demise of Oxygen Molecules at Terapascal Pressures

(2012) Jian Sun et al.   PHYSICAL REVIEW LETTERS

Ab initiorandom structure searching

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

Controlling the Bonding and Band Gaps of Solid Carbon Monoxide with Pressure

(2011) Jian Sun et al.   PHYSICAL REVIEW LETTERS

Equation of state and phase transition of deuterated ammonia monohydrate (ND3⋅D2O) measured by high-resolution neutron powder diffraction up to 500 MPa

(2009) A. Dominic Fortes et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal Structure of Ammonia Monohydrate Phase II

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

Hydrogen bonding inND3probed by neutron diffraction to 24 GPa

(2009) S. Ninet et al.   PHYSICAL REVIEW B

Equation of state and phase diagram of water at ultrahigh pressures as in planetary interiors

(2009) Martin French et al.   PHYSICAL REVIEW B

High-Pressure Phases of Nitrogen

(2009) Chris J. Pickard et al.   PHYSICAL REVIEW LETTERS

Highly compressed ammonia forms an ionic crystal

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