Molecular origin of the difference in the HOH bend of the IR spectra between liquid water and ice

Molecular dynamics with quantum transitions study of the vibrational relaxation of the HOD bend fundamental in liquid D2O

(2012) Adolfo Bastida et al.   JOURNAL OF CHEMICAL PHYSICS

Interpretation of IR and Raman Line Shapes for H2O and D2O Ice Ih

(2012) L. Shi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field

(2011) Jian Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational dynamics of the bending mode of water interacting with ions

(2011) L. Piatkowski et al.   JOURNAL OF CHEMICAL PHYSICS

Two-dimensional infrared spectroscopy of neat ice Ih

(2011) Fivos Perakis et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Temperature dependence of vibrational relaxation of the OH bending excitation in liquid H2O

(2010) Satoshi Ashihara et al.   CHEMICAL PHYSICS LETTERS

Nuclear Quantum Effects in the Reorientation of Water

(2010) Francesco Paesani et al.   Journal of Physical Chemistry Letters

Hybrid quantum/classical simulation of the vibrational relaxation of the bend fundamental in liquid water

(2009) Adolfo Bastida et al.   JOURNAL OF CHEMICAL PHYSICS

Nonequilibrium molecular dynamics simulations of vibrational energy relaxation of HOD in D2O

(2009) Alexander Kandratsenka et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrafast Energy Transfer from the Intramolecular Bending Vibration to Librations in Liquid Water

(2009) Francesca Ingrosso et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Pathways for H2O Bend Vibrational Relaxation in Liquid Water

(2009) Rossend Rey et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Infrared Spectroscopy and Hydrogen-Bond Dynamics of Liquid Water from Centroid Molecular Dynamics with an Ab Initio-Based Force Field

(2009) Francesco Paesani et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Properties of Water: Insights from Quantum Simulations†

(2009) Francesco Paesani et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water

(2008) Scott Habershon et al.   JOURNAL OF CHEMICAL PHYSICS

Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water

(2008) George S. Fanourgakis 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

Temperature dependence of the two-dimensional infrared spectrum of liquid H2O

(2008) D. Kraemer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA