Pyrene: Hydrogenation, hydrogen evolution, and π-band model

Hydrogen-Atom Tunneling Could Contribute to H2 Formation in Space

(2010) Theodorus P. M. Goumans et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Interaction of atoms with graphenic-type surfaces for the chemistry of the interstellar medium: New properties of H dimers on the surface

(2010) D. Teillet-Billy et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Spectroscopic and Thermochemical Consequences of Site-Specific H-Atom Addition to Naphthalene

(2010) Joshua A. Sebree et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Extended atomic hydrogen dimer configurations on the graphite(0001) surface

(2009) Ž. Šljivančanin et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding adsorption of hydrogen atoms on graphene

(2009) Simone Casolo et al.   JOURNAL OF CHEMICAL PHYSICS

Density functional study of graphene antidot lattices: Roles of geometrical relaxation and spin

(2009) Joachim A. Fürst et al.   PHYSICAL REVIEW B

Catalyzed Routes to Molecular Hydrogen Formation and Hydrogen Addition Reactions on Neutral Polycyclic Aromatic Hydrocarbons under Interstellar Conditions

(2008) E. Rauls et al.   ASTROPHYSICAL JOURNAL

Kinetic Monte Carlo studies of hydrogen abstraction from graphite

(2008) H. M. Cuppen et al.   JOURNAL OF CHEMICAL PHYSICS

The sticking of H and D atoms on a graphite (0001) surface: The effects of coverage and energy dissipation

(2008) Jay Kerwin et al.   JOURNAL OF CHEMICAL PHYSICS

Stability and magnetism of hydrogen dimers on graphene

(2008) Yves Ferro et al.   PHYSICAL REVIEW B

Hydrogen on graphene: Electronic structure, total energy, structural distortions and magnetism from first-principles calculations

(2008) D. W. Boukhvalov et al.   PHYSICAL REVIEW B