SEARCH Articles Figures Tables Amsterdam density function calculation Amsterdam density function calculation bonding Amsterdam density functional cluster calculations Calculation of Lattice-Gas Parameters by Density Functional Theory Calculations, density functions Chemical shift calculations density functional theory Density calculating Density calculations Density function theory time-dependent calculations Density functional approach calculations Density functional calculation calculations Density functional calculation calculations Density functional calculations, transition Density functional computer calculation Density functional theoretical calculations Density functional theory , hydrogen structure calculations Density functional theory atomic calculations Density functional theory calculating minimum energy Density functional theory calculations Density functional theory chromophore calculations Density functional theory electronic structure calculations Density functional theory methods calculations Density functional theory molecular calculations Density functional theory wave function calculations Density functional theory-electron spin resonance calculations Density-functional Perturbation Theory and the Calculation of Response Properties Density-functional calculations of alkali and alkaline-earth alanates Density-functional theory calculations improving Electron-correlated calculations, nuclear density functional theory Electronic Structure Calculations Via Density Functional Theory Electronic Structure of Naked, Ligated and Supported Transition Metal Clusters from First Principles Density Functional Calculations Equal time density correlation function calculation Hyperfine structure density functional calculations Molecular density functional ZORA EFG calculations Parry Accurate density-functional calculation of core XPS spectra simulating Probability density function reaction rate calculation Quantum chemical calculations density functional theory Radicals density functional theory calculations Reaction mechanisms density functional theory calculations Redox potentials, calculations density functional theory Singlet state density functional calculations Spectral density functions, molecular dynamics calculations Theoretical calculations density functional theory Thermochemistry density functional calculations Transition density function calculation Wave Function Calculations and Density Functional Theory