23 citations · 23 across the 3 of their papers we have counts for
3 papers
Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces
Saswata Bhattacharya, Daniel Berger, Karsten Reuter +2
Realistic oxide materials are often semiconductors, in particular at elevated temperatures, and their surfaces contain undercoordiated atoms at structural defects such as steps and…
Strengthening gold-gold bonds by complexing gold clusters with noble gases
Luca M. Ghiringhelli, Sergey V. Levchenko
We report an unexpectedly strong and complex chemical bonding of rare-gas atoms to neutral gold clusters. The bonding features are consistently reproduced at different levels of ap…
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism
Noa Marom, Robert A. DiStasio, Viktor Atalla +4
Polymorphs in molecular crystals are often very close in energy, yet they may possess markedly different physical and chemical properties. The understanding and prediction of polym…