Stabilizing a molecular switch at solid surfaces: A density functional theory study of azobenzene on Cu(111), Ag(111), and Au(111)

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

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Azobenzene-functionalized alkanethiols in self-assembled monolayers on gold

(2008) Roland Schmidt et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Trans to cis isomerization of an azobenzene derivative on a Cu(100) surface

(2008) N. Henningsen et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Excitation mechanism in the photoisomerization of a surface-bound azobenzene derivative: Role of the metallic substrate

(2008) Sebastian Hagen et al.   JOURNAL OF CHEMICAL PHYSICS

Embedded Configuration Interaction Description of CO on Cu(111):  Resolution of the Site Preference Conundrum

(2008) Sahar Sharifzadeh et al.   Journal of Physical Chemistry C

The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies

(2008) A Stroppa et al.   NEW JOURNAL OF PHYSICS

Role of the van der Waals interactions on the bonding mechanism of pyridine on Cu(110) and Ag(110) surface: First-principles study

(2008) N. Atodiresei et al.   PHYSICAL REVIEW B

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE