Molecular adsorption on silicon (001): A systematic evaluation of size effects in slab and cluster models

A single-atom transistor

(2012) Martin Fuechsle et al.   Nature Nanotechnology

Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab models

(2012) Ozan Karalti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Benzene adsorbed on Si(001): The role of electron correlation and finite temperature

(2012) Hyun-Jung Kim et al.   PHYSICAL REVIEW B

QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients

(2011) Hrant P. Hratchian et al.   JOURNAL OF CHEMICAL PHYSICS

Real size of ligands, reactants and catalysts: Studies of structure, reactivity and selectivity by ONIOM and other hybrid computational approaches☆

(2010) Valentine P. Ananikov et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Acetone on silicon (001): ambiphilic molecule meets ambiphilic surface

(2009) Oliver Warschkow et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

How strong is the bond between water and salt?

(2008) Bo Li et al.   SURFACE SCIENCE