C and S induces changes in the electronic and geometric structure of Pd(533) and Pd(320)

c(2x2) Interface Alloys in Co/Cu Multilayers - Influence on Interlayer Exchange Coupling and GMR

C60-Based Composites in View of Topochemical Reactions I. C60 Dimers and Oligomers

C60-Based Composites in view of Topochemical Reactions. II. C60 + Carbon Nanobuds

C60-Based Composites in view of Topochemical Reactions. III. C60 + Graphene Nanobuds

Ca0.85Sm0.15MnO3: A mixed antiferromagnet with unusual properties

CaCu_3Ti_4O_12/CaTiO_3 Composite Dielectrics: A Ba/Pb-free Ceramics with High Dielectric Constants

Cage-like Au32 detected by calculated optical spectroscopy

Caged clusters in Al$_{11}$Ir$_4$: structural transition and insulating phase

Calcium-Decorated Carbon Nanotubes for High-Capacity Hydrogen Storage

Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage

Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds

Calculated Magnetic and Electronic Properties of Pyrochlore Iridates

Calculated phonon spectra of paramagnetic iron at the alpha-gamma phase transition

Calculated Pre-exponential Factors and Energetics for Adatom Hopping on Terraces and Steps of Cu(100) and Cu(110)

Calculated spin-orbit splitting of all diamond-like and zinc-blende semiconductors: Effects of p1/2 local orbitals and chemical trends

Calculated thermoelectric properties of La-filled skutterudites

Calculating optical absorption spectra for large systems using linear-scaling density-functional theory

Calculating Quantum Transports Using Periodic Boundary Conditions

Calculating response functions in time domain with non-orthonormal basis sets