The role of hydrogen bonding in water–metal interactions

Hydroxide Ions at the Water/Anatase TiO2(101) Interface: Structure and Electronic States from First Principles Molecular Dynamics

(2010) Hongzhi Cheng et al.   LANGMUIR

Substrate-induced cooperative effects in water adsorption from density functional calculations

(2010) Pepa Cabrera-Sanfelix et al.   PHYSICAL REVIEW B

Probing the proton location in a water bilayer on Pd (111) by inelastic spectroscopy simulations

(2009) Marie-Laure Bocquet et al.   JOURNAL OF CHEMICAL PHYSICS

Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces

(2009) Javier Carrasco et al.   JOURNAL OF CHEMICAL PHYSICS

Role of Hydrophobic Interactions in the Adsorption of Poly(ethylene glycol) Chains on Phospholipid Membranes Investigated with a Quartz Crystal Microbalance

(2009) Guangming Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

(2009) Jochen Schmidt et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Optimal strictly localized basis sets for noble metal surfaces

(2009) Sandra García-Gil et al.   PHYSICAL REVIEW B

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

Water adsorption and the wetting of metal surfaces

(2009) A. Hodgson et al.   SURFACE SCIENCE REPORTS

Electron Donation in the Water-Water Hydrogen Bond

(2008) Rustam Z. Khaliullin et al.   CHEMISTRY-A EUROPEAN JOURNAL

Decisive role of the energetics of dissociation products in the adsorption of water on O/Ru(0001)

(2008) Pepa Cabrera-Sanfelix et al.   PHYSICAL REVIEW B

First-principles study of water on copper and noble metal (110) surfaces

(2008) Jun Ren et al.   PHYSICAL REVIEW B

Nuclear Quantum Effects in Water

(2008) Joseph A. Morrone et al.   PHYSICAL REVIEW LETTERS