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The Effect of Pressure on the Crystal Structure of Serine Hydrate
Serine monohydrate undergoes a phase transition at 5.2 GPa which involves reorientation of water molecules. It appears that this disrupts H-bonding elsewhere in the crystal,... -
Network compression and pressure-induced amorphisation in Zn(CN)2
Zn(CN)2 is an important material because it shows isotropic NTE over a large temperature range and to an extent more than double that of ZrW2O8. This unusual behaviour... -
Neutron reflection from 3He layer adsorbed on liquid 4He surface
More than four decades ago A. F. Andreev predicted theoretically the existence of quantum states of 3He atoms on free surface of liquid 4He . In other words, at low... -
Crystal-chemical environment of lithium atoms in battery anode materials
We want to investigate and Rietveld-refine the crystal structures of a number of lithium titanates and niobates of interest as battery anode materials. Some of these phases have... -
Copy of: The Effect of Pressure on the Crystal Structure Titanium Tetrachloride
At ambient pressure and temperature TiCl4 is a fuming yellow liquid. On cooling it forma a solid composed of essentially isolated tetrahedral molecules; the same structure is... -
An INS Study of the Effect of Pressure on the Crystal Structure Titanium Tetr...
TiCl4 forms a molecular structure containing isolated tetrahedral molecules on cooling to 248 K. The freezing pressure of TiCl4 is 0.05 GPa (500 atm). Single crystal growth... -
Total energies of atoms from integral-equation radial solver
We present a numerical tool for solving the non-relativistic Kohn-Sham problem for spherically-symmetric atoms. It treats the Schrödinger equation as an integral equation...
