A polarizable, charge transfer model of water using the drude oscillator

Hydrated proton and hydroxide charge transfer at the liquid/vapor interface of water

(2015) Marielle Soniat et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Transfer Models of Zinc and Magnesium in Water

(2015) Marielle Soniat et al.   Journal of Chemical Theory and Computation

Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model

(2015) Marie L. Laury et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Surface Potential of the Water–Vapor Interface from Classical Simulations

(2015) Joseph R. Cendagorta et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Charge transfer effects of ions at the liquid water/vapor interface

(2014) Marielle Soniat et al.   JOURNAL OF CHEMICAL PHYSICS

The molecular charge distribution, the hydration shell, and the unique properties of liquid water

(2014) Ming-Liang Tan et al.   JOURNAL OF CHEMICAL PHYSICS

An improved simple polarisable water model for use in biomolecular simulation

(2014) Stephan J. Bachmann et al.   JOURNAL OF CHEMICAL PHYSICS

The thermodynamics of proton hydration and the electrochemical surface potential of water

(2014) Travis P. Pollard et al.   JOURNAL OF CHEMICAL PHYSICS

All-atom polarizable force field for DNA based on the classical drude oscillator model

(2014) Alexey Savelyev et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Role of Charge Transfer in Water Diffusivity in Aqueous Ionic Solutions

(2014) Yi Yao et al.   Journal of Physical Chemistry Letters

Accurate First Principles Model Potentials for Intermolecular Interactions

(2013) Mark S. Gordon et al.   Annual Review of Physical Chemistry

Six-site polarizable model of water based on the classical Drude oscillator

(2013) Wenbo Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range

(2013) Lawrie B. Skinner et al.   JOURNAL OF CHEMICAL PHYSICS

Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator

(2013) Pedro E. M. Lopes et al.   Journal of Chemical Theory and Computation

Raman Spectra of Liquid Water from Ab Initio Molecular Dynamics: Vibrational Signatures of Charge Fluctuations in the Hydrogen Bond Network

(2013) Quan Wan et al.   Journal of Chemical Theory and Computation

Charge and Electric Field Fluctuations in Aqueous NaCl Electrolytes

(2013) Bernhard Sellner et al.   JOURNAL OF PHYSICAL CHEMISTRY B

How intermolecular charge transfer influences the air-water interface

(2012) Collin D. Wick et al.   JOURNAL OF CHEMICAL PHYSICS

Density maximum and polarizable models of water

(2012) Péter T. Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

The effects of charge transfer on the aqueous solvation of ions

(2012) Marielle Soniat et al.   JOURNAL OF CHEMICAL PHYSICS

Development of Polarizable Models for Molecular Mechanical Calculations. 3. Polarizable Water Models Conforming to Thole Polarization Screening Schemes

(2012) Jun Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Characterizing Charge Transfer at Water Ice Interfaces

(2012) Alexis J. Lee et al.   Journal of Physical Chemistry Letters

The effects of charge transfer on the properties of liquid water

(2011) Alexis J. Lee et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding the Surface Potential of Water

(2011) Shawn M. Kathmann et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Charge Transfer between Water Molecules As the Possible Origin of the Observed Charging at the Surface of Pure Water

(2011) Robert Vácha et al.   Journal of Physical Chemistry Letters

The Orientation and Charge of Water at the Hydrophobic Oil Droplet–Water Interface

(2011) Robert Vácha et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polarization and charge transfer in the hydration of chloride ions

(2010) Zhen Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

A second generation distributed point polarizable water model

(2010) Revati Kumar et al.   JOURNAL OF CHEMICAL PHYSICS

Temperature and pressure dependence of the optimized soft-sticky dipole-quadrupole-octupole water model

(2010) Jerez A. Te et al.   JOURNAL OF CHEMICAL PHYSICS

The surface tension of TIP4P/2005 water model using the Ewald sums for the dispersion interactions

(2010) José Alejandre et al.   JOURNAL OF CHEMICAL PHYSICS

Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field

(2010) Haibo Yu et al.   Journal of Chemical Theory and Computation

Charge-transfer in Symmetry-Adapted Perturbation Theory

(2009) Anthony J. Stone et al.   CHEMICAL PHYSICS LETTERS

Surface Potential at the Air−Water Interface Computed Using Density Functional Theory

(2009) Kevin Leung   Journal of Physical Chemistry Letters

Electron Donation in the Water-Water Hydrogen Bond

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

Charge Transfer and OH Vibrational Frequency Red Shifts in Nitrate−Water Clusters

(2008) Sai G. Ramesh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum Differences between Heavy and Light Water

(2008) A. K. Soper et al.   PHYSICAL REVIEW LETTERS