Fe L2,3 linear and circular magnetic dichroism of Fe3O4

P. J. C. Kuiper, B. G. Searle, L.-C. Duda, +2

Journal of Electron Spectroscopy and Related Phenomena

MagnetismFerromagnetismEngineeringPhysicsNatural Sciences +5

An experimental and theoretical investigation of the electronic structure of CdO

Y. Dou, R.G. Egdell, D. Law, +2

Journal of Physics Condensed Matter

EngineeringExperimental O 2PPolycrystalline CdoChemistryElectronic Excited State +20

Ligand hole induced symmetry mixing of d8 states in LixNi1−xO, as observed in Ni 2p x-ray absorption spectroscopy

J. van Elp, B. G. Searle, G. A. Sawatzky, +1

Solid State Communications

Inorganic ChemistryLigand HoleX-ray SpectroscopySymmetry MixingPhysics +10

Electronic Structure and Symmetry in Nickel L Edge X-ray Absorption Spectroscopy: Application to a Nickel Protein

J. van Elp, Guoqiang Peng, B. G. Searle, +7

Journal of the American Chemical Society

X-ray CrystallographyNickel ProteinX-ray SpectroscopyEngineeringAltmetric Attention Score +15

The structural relaxation of the α-Al2O3(0 0 0 1) – an investigation of potential errors

José R. B. Gomes, Ibério de P. R. Moreira, Peter Reinhardt, +4

Chemical Physics Letters

An ab initio study of α-Al2O3(0001): the effects of exchange and correlation functionals

A. Wander, B. G. Searle, N. M. Harrison

Surface Science

Materials ScienceInorganic ChemistryEngineeringCorrelation FunctionalsCalcium Aluminate +3

Structure and Stability of α-AlF₃Surfaces

C. L. Bailey, Sanghamitra Mukhopadhyay, A. Wander, +2

The Journal of Physical Chemistry C

EngineeringGeometryTheoretical Inorganic ChemistryChemistryPhase Stability +16

Parallel implementation of the <i>ab initio</i> CRYSTAL program: electronic structure calculations for periodic systems

Ian J. Bush, Stanko Tomić, B. G. Searle, +6

Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences

Crystal StructureEngineeringParallel Computer HardwareLinear CombinationParallel Implementation +18

Stability of the AlF3 surface in H2O and HF environments: An investigation using hybrid density functional theory and atomistic thermodynamics

Sanghamitra Mukhopadhyay, C. L. Bailey, A. Wander, +6

Surface Science

Materials ScienceEngineeringPhysicsAlf3 SurfaceSurface Science +5

DL Visualize

B. G. Searle

Computer Physics Communications