Binding energies of benzene on coinage metal surfaces: Equal stability on different metals

Long-Range Repulsion Between Spatially Confined van der Waals Dimers

(2017) Mainak Sadhukhan et al.   PHYSICAL REVIEW LETTERS

Adsorption energies of benzene on close packed transition metal surfaces using the random phase approximation

(2017) José A. Garrido Torres et al.   PHYSICAL REVIEW MATERIALS

Substrate-Induced and Thin-Film Phases: Polymorphism of Organic Materials on Surfaces

(2016) Andrew O. F. Jones et al.   ADVANCED FUNCTIONAL MATERIALS

Energies of Formation Reactions Measured for Adsorbates on Late Transition Metal Surfaces

(2016) Trent L. Silbaugh et al.   Journal of Physical Chemistry C

Aromatic molecules on low-index coinage metal surfaces: Many-body dispersion effects

(2016) Yingda Jiang et al.   Scientific Reports

Growth, structure, and electronic properties in organic thin films deposited on metal surfaces investigated by low energy electron microscopy and photoelectron emission microscopy

(2015) Maria Benedetta Casu   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Characterization of orientational order in π-conjugated molecular thin films by NEXAFS

(2015) Tobias Breuer et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Quantitative Prediction of Molecular Adsorption: Structure and Binding of Benzene on Coinage Metals

(2015) Wei Liu et al.   PHYSICAL REVIEW LETTERS

Theoretical study of the adsorption of benzene on coinage metals

(2014) Werner Reckien et al.   Beilstein Journal of Organic Chemistry

Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces

(2014) Javier Carrasco et al.   JOURNAL OF CHEMICAL PHYSICS

Long-range correlation energy calculated from coupled atomic response functions

(2014) Alberto Ambrosetti et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption energetics of azobenzenes on noble metal surfaces

(2014) Michael Schulze et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Photo-induced and thermal reactions in thin films of an azobenzene derivative on Bi(111)

(2014) Christopher Bronner et al.   NEW JOURNAL OF PHYSICS

Unravelling the multilayer growth of the fullerene C60 in real time

(2014) S. Bommel et al.   Nature Communications

Organic semiconductor density of states controls the energy level alignment at electrode interfaces

(2014) Martin Oehzelt et al.   Nature Communications

Photoisomerization of an Azobenzene on the Bi(111) Surface

(2013) Christopher Bronner et al.   Journal of Physical Chemistry C

Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response

(2013) Wei Liu et al.   NEW JOURNAL OF PHYSICS

Optical and electronic interaction at metal–organic and organic–organic interfaces of ultra-thin layers of PTCDA and SnPc on noble metal surfaces

(2013) Marco Gruenewald et al.   ORGANIC ELECTRONICS

Quantification of finite-temperature effects on adsorption geometries ofπ-conjugated molecules: Azobenzene/Ag(111)

(2013) G. Mercurio et al.   PHYSICAL REVIEW B

The Entropies of Adsorbed Molecules

(2012) Charles T. Campbell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems

(2012) Victor G. Ruiz et al.   PHYSICAL REVIEW LETTERS

Accurate and Efficient Method for Many-Body van der Waals Interactions

(2012) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

The Nature of the Binding of Au, Ag, and Pd to Benzene, Coronene, and Graphene: From Benchmark CCSD(T) Calculations to Plane-Wave DFT Calculations

(2011) Jaroslav Granatier et al.   Journal of Chemical Theory and Computation

Adsorption and switching properties of a N-benzylideneaniline based molecular switch on a Au(111) surface

(2010) László Óvári et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects

(2010) Katrin Tonigold et al.   JOURNAL OF CHEMICAL PHYSICS

Azobenzene versus 3,3′,5,5′-tetra-tert-butyl-azobenzene (TBA) at Au(111): characterizing the role of spacer groups

(2010) Erik R. McNellis et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Site-Specific Geometric and Electronic Relaxations at Organic-Metal Interfaces

(2010) H. Yamane et al.   PHYSICAL REVIEW LETTERS

Structure and Energetics of Azobenzene on Ag(111): Benchmarking Semiempirical Dispersion Correction Approaches

(2010) G. Mercurio et al.   PHYSICAL REVIEW LETTERS

Energy-Level Alignment at Organic/Metal and Organic/Organic Interfaces

(2009) Slawomir Braun et al.   ADVANCED MATERIALS

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

Efficient integration for all-electron electronic structure calculation using numeric basis functions

(2009) V. Havu et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Rings sliding on a honeycomb network: Adsorption contours, interactions, and assembly of benzene on Cu(111)

(2009) K. Berland et al.   PHYSICAL REVIEW B

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

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS