Non-adiabatic ab initio molecular dynamics of supersonic beam epitaxy of silicon carbide at room temperature

Infrared spectroscopy of copper-resveratrol complexes: A joint experimental and theoretical study

(2012) B. Chiavarino et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Electronic band gaps of semiconducting zig-zag carbon nanotubes from many-body perturbation theory calculations

(2012) P. Umari et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Nonadiabatic dynamics theory

(2012) John C. Tully   JOURNAL OF CHEMICAL PHYSICS

Quantifying the breakdown of the Born–Oppenheimer approximation in surface chemistry

(2011) Igor Rahinov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct observation of a dispersionless impurity band in hydrogenated graphene

(2011) D. Haberer et al.   PHYSICAL REVIEW B

Nonadiabatic dynamics with trajectory surface hopping method

(2011) Mario Barbatti   Wiley Interdisciplinary Reviews-Computational Molecular Science

Communications: Ab initio dynamics of rare thermally activated reactions

(2010) S. a Beccara et al.   JOURNAL OF CHEMICAL PHYSICS

Tunable Band Gap in Hydrogenated Quasi-Free-Standing Graphene

(2010) D. Haberer et al.   NANO LETTERS

On the temperature dependence of electronically non-adiabatic vibrational energy transfer in molecule–surface collisions

(2010) Daniel Matsiev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Collision-induced fusion of twoC60fullerenes: Quantum chemical molecular dynamics simulations

(2010) Jacek Jakowski et al.   PHYSICAL REVIEW B

Electron spectroscopies and inelastic processes in nanoclusters and solids: Theory and experiment

(2010) Simone Taioli et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Molecular sputter depth profiling using carbon cluster beams

(2009) Andreas Wucher et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Open-cage fullerenes: towards the construction of nanosized molecular containers

(2009) Georgios C. Vougioukalakis et al.   CHEMICAL SOCIETY REVIEWS

Electronic properties of extended graphene nanomaterials fromGWcalculations

(2009) S. Taioli et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Nonadiabatic effects in the dissociation of oxygen molecules at the Al(111) surface

(2008) Jörg Behler et al.   PHYSICAL REVIEW B

Tight-binding molecular dynamics simulations of radiation-induced fragmentation ofC60

(2008) Lóránd Horváth et al.   PHYSICAL REVIEW B