Oxide/water interfaces: how the surface chemistry modifies interfacial water properties

The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrode

(2011) Francesca Costanzo et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Interfacial water structure revealed by ultrafast two-dimensional surface vibrational spectroscopy

(2011) Zhen Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Absolute pKaValues and Solvation Structure of Amino Acids from Density Functional Based Molecular Dynamics Simulation

(2011) Martina Mangold et al.   Journal of Chemical Theory and Computation

Molecular Orientational Distribution at Interfaces Using Second Harmonic Generation

(2011) Yi Rao et al.   Journal of Physical Chemistry C

Acidity of the Aqueous Rutile TiO2(110) Surface from Density Functional Theory Based Molecular Dynamics

(2010) Jun Cheng et al.   Journal of Chemical Theory and Computation

Influence of Explicit Hydration Waters in Calculating the Hydrolysis Constants for Geochemically Relevant Metals

(2010) Matthew C. F. Wander et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Acidity constants from DFT-based molecular dynamics simulations

(2010) Marialore Sulpizi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Structural Inhomogeneity of Interfacial Water at Lipid Monolayers Revealed by Surface-Specific Vibrational Pump−Probe Spectroscopy

(2010) Mischa Bonn et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Water structure at solid surfaces and its implications for biomolecule adsorption

(2010) Kailash C. Jena et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ultrafast inter- and intramolecular vibrational energy transfer between molecules at interfaces studied by time- and polarization-resolved SFG spectroscopy

(2010) Susumu Yamamoto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical spectroscopy of floppy peptides at room temperature. A DFTMD perspective: gas and aqueous phase

(2010) Marie-Pierre Gaigeot   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Non-destructive investigation of fibronectin adsorption on titanium surfaces using PM-RAIRS: effect of surface hydroxylation

(2010) Stéphanie Boudesocque et al.   SURFACE AND INTERFACE ANALYSIS

Ultrafast surface vibrational dynamics

(2010) Heike Arnolds et al.   SURFACE SCIENCE REPORTS

Water at polar and nonpolar solid walls (Review)

(2009) Felix Sedlmeier et al.   Biointerphases

Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamics

(2009) Jun Cheng et al.   JOURNAL OF CHEMICAL PHYSICS

Variation of Ionic Strength Reveals the Interfacial Water Structure at a Charged Mineral Surface

(2009) Kailash C. Jena et al.   Journal of Physical Chemistry C

Elucidating the Bimodal Acid−Base Behavior of the Water−Silica Interface from First Principles

(2009) Kevin Leung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Advancing the Frontiers in Nanocatalysis, Biointerfaces, and Renewable Energy Conversion by Innovations of Surface Techniques

(2009) Gabor A. Somorjai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Dynamics Studies of the Interactions of Water and Amino Acid Analogues with Quartz Surfaces

(2009) Rebecca Notman et al.   LANGMUIR

Dissolution of insulating oxide materials at the molecular scale

(2009) C. André Ohlin et al.   NATURE MATERIALS

Reactions at surfaces in the atmosphere: integration of experiments and theory as necessary (but not necessarily sufficient) for predicting the physical chemistry of aerosols

(2009) Barbara J. Finlayson-Pitts   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Shedding light on water structure at air–aqueous interfaces: ions, lipids, and hydration

(2009) Heather C. Allen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure and charging of hydrophobic material/water interfaces studied by phase-sensitive sum-frequency vibrational spectroscopy

(2009) C. S. Tian et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Transport Processes at α-Quartz–Water Interfaces: Insights from First-Principles Molecular Dynamics Simulations

(2008) Waheed A. Adeagbo et al.   CHEMPHYSCHEM

Reactivity of a Hydroxylated Alumina Surface in the Presence of NO Diluted in N2:  A PM-IRRAS in Situ Investigation

(2008) A. Delebecque et al.   Journal of Physical Chemistry C

Structures and Charging of α-Alumina (0001)/Water Interfaces Studied by Sum-Frequency Vibrational Spectroscopy

(2008) Luning Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Acidity constants from vertical energy gaps: density functional theory based molecular dynamics implementation

(2008) Marialore Sulpizi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Characterization of Vibrational Resonances of Water-Vapor Interfaces by Phase-Sensitive Sum-Frequency Spectroscopy

(2008) N. Ji et al.   PHYSICAL REVIEW LETTERS