The proton momentum distribution in strongly H-bonded phases of water: A critical test of electrostatic models

Quantum effects of hydrogen atoms on the dynamical rearrangement of hydrogen-bond networks in liquid water

(2010) Kim Hyeon-Deuk et al.   JOURNAL OF CHEMICAL PHYSICS

Properties of liquid water from a systematic refinement of a high-rank multipolar electrostatic potential

(2010) Majeed S. Shaik et al.   JOURNAL OF CHEMICAL PHYSICS

Nonlinear response of vibrational excitons: Simulating the two-dimensional infrared spectrum of liquid water

(2009) A. Paarmann et al.   JOURNAL OF CHEMICAL PHYSICS

Assessing the electric-field approximation to IR and Raman spectra of dilute HOD in D2O

(2009) Mathias P. Ljungberg et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum contributions in the ice phases: The path to a new empirical model for water—TIP4PQ/2005

(2009) Carl McBride et al.   JOURNAL OF CHEMICAL PHYSICS

Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: The importance of monomer deformations

(2009) Biswajit Santra et al.   JOURNAL OF CHEMICAL PHYSICS

Optimal construction of a fast and accurate polarisable water potential based on multipole moments trained by machine learning

(2009) Chris M. Handley et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

POLIR: Polarizable, flexible, transferable water potential optimized for IR spectroscopy

(2008) Parminder K. Mankoo et al.   JOURNAL OF CHEMICAL PHYSICS

The vibrational proton potential in bulk liquid water and ice

(2008) C. J. Burnham et al.   JOURNAL OF CHEMICAL PHYSICS

Role of dipolar correlations in the infrared spectra of water and ice

(2008) Wei Chen et al.   PHYSICAL REVIEW B

Proton Momentum Distribution of Liquid Water from Room Temperature to the Supercritical Phase

(2008) C. Pantalei et al.   PHYSICAL REVIEW LETTERS

Nuclear Quantum Effects in Water

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