Ultrafast Vibrational Dynamics of Water Disentangled by Reverse NonequilibriumAb InitioMolecular Dynamics Simulations

Aqueous Heterogeneity at the Air/Water Interface Revealed by 2D-HD-SFG Spectroscopy

(2014) Cho-Shuen Hsieh et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ultrafast dynamics of liquid water: Frequency fluctuations of the OH stretch and the HOH bend

(2013) Sho Imoto et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments

(2013) Chao Zhang et al.   Journal of Physical Chemistry Letters

Water Bending Mode at the Water–Vapor Interface Probed by Sum-Frequency Generation Spectroscopy: A Combined Molecular Dynamics Simulation and Experimental Study

(2013) Yuki Nagata et al.   Journal of Physical Chemistry Letters

Water vibrations have strongly mixed intra- and intermolecular character

(2013) Krupa Ramasesha et al.   Nature Chemistry

Mechanism of vibrational energy dissipation of free OH groups at the air-water interface

(2013) C.-S. Hsieh et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electronic signature of the instantaneous asymmetry in the first coordination shell of liquid water

(2013) Thomas D. Kühne et al.   Nature Communications

Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid–Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulations

(2012) Marialore Sulpizi et al.   Journal of Physical Chemistry Letters

Tracking energy transfer from excited to accepting modes: application to water bend vibrational relaxation

(2012) Rossend Rey et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Role of Water in Protein Aggregation and Amyloid Polymorphism

(2011) D. Thirumalai et al.   ACCOUNTS OF CHEMICAL RESEARCH

A novel method for analyzing energy relaxation in condensed phases using nonequilibrium molecular dynamics simulations: Application to the energy relaxation of intermolecular motions in liquid water

(2011) Takuma Yagasaki et al.   JOURNAL OF CHEMICAL PHYSICS

Water: Nature’s Reaction Enforcer—Comparative Effects for Organic Synthesis “In-Water” and “On-Water”

(2010) Richard N. Butler et al.   CHEMICAL REVIEWS

Two-dimensional infrared spectroscopy and ultrafast anisotropy decay of water

(2010) T. l. C. Jansen et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational Sum-Frequency Generation Spectroscopy at the Water/Lipid Interface: Molecular Dynamics Simulation Study

(2010) Yuki Nagata et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dissecting the THz spectrum of liquid water from first principles via correlations in time and space

(2010) M. Heyden et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural Rearrangements in Water Viewed Through Two-Dimensional Infrared Spectroscopy

(2009) Sean T. Roberts et al.   ACCOUNTS OF CHEMICAL RESEARCH

Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water

(2009) H. J. Bakker et al.   CHEMICAL REVIEWS

Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum

(2009) Jian Liu 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

Classical Simulation of Quantum Energy Flow in Biomolecules

(2009) Gerhard Stock   PHYSICAL REVIEW LETTERS

Dynamic treatment of vibrational energy relaxation in a heterogeneous and fluctuating environment

(2008) Hiroshi Fujisaki et al.   JOURNAL OF CHEMICAL PHYSICS

A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl− ions

(2008) Bhabani S. Mallik et al.   JOURNAL OF CHEMICAL PHYSICS

Probing intermolecular couplings in liquid water with two-dimensional infrared photon echo spectroscopy

(2008) A. Paarmann et al.   JOURNAL OF CHEMICAL PHYSICS

Nonequilibrium molecular dynamics simulations with a backward-forward trajectories sampling for multidimensional infrared spectroscopy of molecular vibrational modes

(2008) Taisuke Hasegawa et al.   JOURNAL OF CHEMICAL PHYSICS

IR and Raman spectra of liquid water: Theory and interpretation

(2008) B. M. Auer et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrafast intermolecular dynamics of liquid water: A theoretical study on two-dimensional infrared spectroscopy

(2008) Takuma Yagasaki et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational Spectral Diffusion and Hydrogen Bond Dynamics in Heavy Water from First Principles

(2008) Bhabani S. Mallik et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Water as an Active Constituent in Cell Biology

(2007) Philip Ball   CHEMICAL REVIEWS