Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal−Phthalocyanine Dimers

(2009) Noa Marom et al.   Journal of Chemical Theory and Computation

Electromechanical Properties of Suspended Graphene Nanoribbons

(2009) Oded Hod et al.   NANO LETTERS

Role of van der Waals forces in the adsorption and diffusion of organic molecules on an insulating surface

(2009) O. H. Pakarinen et al.   PHYSICAL REVIEW B

Nature and Strength of Interlayer Binding in Graphite

(2009) Leonardo Spanu et al.   PHYSICAL REVIEW LETTERS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Torsional Stick-Slip Behavior inWS2Nanotubes

(2008) K. S. Nagapriya et al.   PHYSICAL REVIEW LETTERS

Subnanometer Motion of Cargoes Driven by Thermal Gradients Along Carbon Nanotubes

(2008) A. Barreiro et al.   SCIENCE