Enhancement of the local asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse

Molecular polarizability anisotropy of liquid water revealed by terahertz-induced transient orientation

(2018) Peter Zalden et al.   Nature Communications

Transient birefringence of liquids induced by terahertz electric-field torque on permanent molecular dipoles

(2017) Mohsen Sajadi et al.   Nature Communications

Amyloid Properties of Asparagine and Glutamine in Prion-like Proteins

(2016) Yuan Zhang et al.   ACS Chemical Neuroscience

Vibrational Spectroscopy and Dynamics of Water

(2016) Fivos Perakis et al.   CHEMICAL REVIEWS

Water response to intense electric fields: A molecular dynamics study

(2015) Paolo Marracino et al.   BIOELECTROMAGNETICS

Perspectives on external electric fields in molecular simulation: progress, prospects and challenges

(2015) Niall J. English et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments

(2015) Hossam Elgabarty et al.   Nature Communications

Polar nanoregions in water: A study of the dielectric properties of TIP4P/2005, TIP4P/2005f and TTM3F

(2014) D. C. Elton et al.   JOURNAL OF CHEMICAL PHYSICS

Hydration and hydrogen bond network of water around hydrophobic surface investigated by terahertz spectroscopy

(2014) K. Shiraga et al.   JOURNAL OF CHEMICAL PHYSICS

Nature of the Asymmetry in the Hydrogen-Bond Networks of Hexagonal Ice and Liquid Water

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Second generation Car-Parrinello molecular dynamics

(2014) Thomas D. Kühne   Wiley Interdisciplinary Reviews-Computational Molecular Science

Ultrafast Energy Transfer to Liquid Water by Sub-Picosecond High-Intensity Terahertz Pulses: An Ab Initio Molecular Dynamics Study

(2013) Pankaj Kr. Mishra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Human aquaporin 4 gating dynamics under and after nanosecond-scale static and alternating electric-field impulses: A molecular dynamics study of field effects and relaxation

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Dipolar response and hydrogen-bond kinetics in liquid water in square-wave time-varying electric fields

(2013) Riccardo Reale et al.   MOLECULAR PHYSICS

Microscopic properties of liquid water from combined ab initio molecular dynamics and energy decomposition studies

(2013) Rustam Z. Khaliullin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab InitioMolecular Dynamics Study of Dissociation of Water under an Electric Field

(2012) A. Marco Saitta et al.   PHYSICAL REVIEW LETTERS

Structure of the floating water bridge and water in an electric field

(2012) L. B. Skinner et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Terahertz Spectroscopy

(2011) Jason B. Baxter et al.   ANALYTICAL CHEMISTRY

Terahertz Time-Domain Spectroscopy of Gases, Liquids, and Solids

(2011) Michael Theuer et al.   CHEMPHYSCHEM

Ultrafast vibrational energy transfer at the water/air interface revealed by two-dimensional surface vibrational spectroscopy

(2011) Zhen Zhang et al.   Nature Chemistry

Dielectric Relaxation in Liquid Water: Two Fractions or Two Dynamics?

(2011) Alexander Y. Zasetsky   PHYSICAL REVIEW LETTERS

Phase Diagram of Water under an Applied Electric Field

(2011) J. L. Aragones et al.   PHYSICAL REVIEW LETTERS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations

(2010) Thomas D. Kühne et al.   Journal of Physical Chemistry Letters

Static and Dynamical Properties of Liquid Water from First Principles by a Novel Car−Parrinello-like Approach

(2009) Thomas D. Kühne et al.   Journal of Chemical Theory and Computation

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

(2009) Jochen Schmidt et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals

(2008) Rustam Z. Khaliullin et al.   JOURNAL OF CHEMICAL PHYSICS

Field-exposed water in a nanopore: liquid or vapour?

(2008) Dusan Bratko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond

(2007) Jayendran C. Rasaiah et al.   Annual Review of Physical Chemistry