Ab initio molecular dynamics study of small alkali metal clusters 

Structural, Electronic, and Thermodynamic Properties of the T and B Phases of Niobia: First-Principle Calculations 

How Meaningful Is the Halogen Bonding in 1-Ethyl-3-methyl Imidazolium-Based Ionic Liquids for CO2 Capture? 

Preface: Unsolved problems of magnetospheric physics 

Electronic excitations of C 60 aggregates 

Should negative electron affinities be used for evaluating the chemical hardness? 

Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111) 

Comment on "going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to Na2 +" [J. Chem. Phys. 138, 054110 (2013)] 

A new isomer of C 20 and a way to a new C 240 

Energetic, Structural, and Vibrational Properties of 4,4′-Methylenediphenyl Diisocyanate with Relevance for Adhesion