Anomalous molecular orbital variation upon adsorption on a wide band gap insulator

yambo: An ab initio tool for excited state calculations

(2009) Andrea Marini et al.   COMPUTER PHYSICS COMMUNICATIONS

Insight from First-Principles Calculations into the Interactions between Hydroxybenzoic Acids and Alkali Chloride Surfaces

(2009) Wei Chen et al.   Journal of Physical Chemistry C

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Observation of molecular orbital gating

(2009) Hyunwook Song et al.   NATURE

The interplay of van der Waals and weak chemical forces in the adsorption of salicylic acid on NaCl(001)

(2009) Wei Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces

(2009) J. M. Garcia-Lastra et al.   PHYSICAL REVIEW B

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

Controlling Polarization at Insulating Surfaces: Quasiparticle Calculations for Molecules Adsorbed on Insulator Films

(2009) Christoph Freysoldt et al.   PHYSICAL REVIEW LETTERS

Growth-Mode-Induced Narrowing of Optical Spectra of an Organic Adlayer

(2008) T. Dienel et al.   ADVANCED MATERIALS