The electronic structure of zircon-type orthovanadates: Effects of high-pressure and cation substitution
The electronic structures and magnetic properties of perovskite ruthenates from constrained orbital hybridization calculations
The electronic transport properties and microstructure of carbon nanofiber/epoxy composites
The energetic and structural properties of bcc NiCu, FeCu alloys: a first-principles study
The Energetics of Li Off-Centering in K$_{1-x}$Li$_x$TaO$_3$; First Principles Calculations
The energetics of water on oxide surfaces by quantum Monte Carlo
The ensemble effects on adsorption and dehydrogenation of ethylene on PdAu(001) bimetallic surfaces
The equation of state and nonmetal-metal transition of benzene under shock compression
The equilibrium shape of InAs quantum dots grown on a GaAs(001) substrate
The Equilibrium Shape of Quantum Dots
The Evolution of Magnetism in Iron from the Atom to the Bulk
The exchange energy in the local Airy gas approximation
The exchange-correlation potential correction to the vacuum potential barrier of graphene edge
The excited state structure of the nitrogen-vacancy center in diamond
The existence of a stable noncollinear phase in a Heisenberg model with a complex structure
The f-electron challenge: localized and itinerant states in lanthanide oxides united by GW@LDA+U
The Fe-Mg interplay and the effect of deposition mode in (Ga,Fe)N doped with Mg
The Fermi Surface Effect on Magnetic Interlayer Coupling
The Fermi surfaces of Metallic Alloys and the Oscillatory Magnetic Coupling between Magnetic Layers separated by such Alloy Spacers
The ferroelectric transition in YMnO$_3$ from first principles