Interactions between halide anions and a molecular hydrophobic interface

Application of Raman Multivariate Curve Resolution to Solvation-Shell Spectroscopy

(2012) Kathryn Rebecca Fega et al.   APPLIED SPECTROSCOPY

Intermolecular Interactions in Complex Liquids: Effective Fragment Potential Investigation of Water–tert-Butanol Mixtures

(2012) Michael D. Hands et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Mechanisms of Ion-Specific Effects on Proteins

(2012) Kelvin B. Rembert et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Sodium Fluoride at the Air/Water Interface

(2011) James K. Beattie et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Solvation structure and energetics of single ions at the aqueous liquid–vapor interface

(2011) Brad A. Bauer et al.   CHEMICAL PHYSICS LETTERS

Effective Fragment Potential Study of the Interaction of DNA Bases

(2011) Quentin A. Smith et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Benzene−Pyridine Interactions Predicted by the Effective Fragment Potential Method

(2011) Quentin A. Smith et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk

(2011) Debashree Ghosh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structure and Dynamics of Water Dangling OH Bonds in Hydrophobic Hydration Shells. Comparison of Simulation and Experiment

(2011) Jill Tomlinson-Phillips et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Toward an Understanding of the Specific Ion Effect Using Density Functional Theory

(2011) Marcel D. Baer et al.   Journal of Physical Chemistry Letters

π-Hydrogen Bonding in Liquid Water

(2011) Kamil P. Gierszal et al.   Journal of Physical Chemistry Letters

Modeling Solvent Effects on Electronic Excited States

(2011) Albert DeFusco et al.   Journal of Physical Chemistry Letters

Noncovalent Interactions in Extended Systems Described by the Effective Fragment Potential Method: Theory and Application to Nucleobase Oligomers

(2010) Debashree Ghosh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Solvation of the Excited States of Chromophores in Polarizable Environment: Orbital Relaxation versus Polarization†

(2010) Lyudmila V. Slipchenko   JOURNAL OF PHYSICAL CHEMISTRY A

Solvent Effects on the Electronic Transitions ofp-Nitroaniline: A QM/EFP Study

(2010) Dmytro Kosenkov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Water: Hydrogen bonding and vibrational spectroscopy, in the bulk liquid and at the liquid/vapor interface

(2009) B.M. Auer et al.   CHEMICAL PHYSICS LETTERS

Specific ion adsorption at the air/water interface: The role of hydrophobic solvation

(2009) Dominik Horinek et al.   CHEMICAL PHYSICS LETTERS

Water and Alanine: From Puddles(32) to Ponds(49)

(2009) Jonathan M. Mullin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Perturbations of Water by Alkali Halide Ions Measured using Multivariate Raman Curve Resolution

(2009) Pradeep N. Perera et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Alanine: Then There Was Water

(2009) Jonathan M. Mullin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Damping functions in the effective fragment potential method

(2009) Lyudmila V. Slipchenko† et al.   MOLECULAR PHYSICS

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

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

Signatures of coherent vibrational energy transfer in IR and Raman line shapes for liquid water

(2009) Mino Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Observation of water dangling OH bonds around dissolved nonpolar groups

(2009) P. N. Perera et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Integration or Segregation: How Do Molecules Behave at Oil/Water Interfaces?

(2008) F. G. Moore et al.   ACCOUNTS OF CHEMICAL RESEARCH

Spiers Memorial Lecture : Ions at aqueous interfaces

(2008) Pavel Jungwirth   FARADAY DISCUSSIONS

Solvent effects on optical properties of molecules: A combined time-dependent density functional theory/effective fragment potential approach

(2008) Soohaeng Yoo et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling π–π Interactions with the Effective Fragment Potential Method: The Benzene Dimer and Substituents

(2008) Toni Smith et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Water−Benzene Interactions: An Effective Fragment Potential and Correlated Quantum Chemistry Study†

(2008) Lyudmila V. Slipchenko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Anion Fractionation and Reactivity at Air/Water:Methanol Interfaces. Implications for the Origin of Hofmeister Effects

(2008) Jie Cheng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Solute-Induced Perturbations of Solvent-Shell Molecules Observed Using Multivariate Raman Curve Resolution

(2008) Pradeep Perera et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY