Perspective: Echoes in 2D-Raman-THz spectroscopy

Phase-resolved two-dimensional terahertz spectroscopy including off-resonant interactions beyond the χ(3) limit

(2016) Carmine Somma et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Two-dimensional resonance Raman spectroscopy

(2016) Brian P. Molesky et al.   JOURNAL OF CHEMICAL PHYSICS

Simulating two-dimensional infrared-Raman and Raman spectroscopies for intermolecular and intramolecular modes of liquid water

(2016) Hironobu Ito et al.   JOURNAL OF CHEMICAL PHYSICS

Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model

(2016) Karl T. Debiec et al.   Journal of Chemical Theory and Computation

Effects of Intermolecular Charge Transfer in Liquid Water on Raman Spectra

(2016) Hironobu Ito et al.   Journal of Physical Chemistry Letters

Terahertz echoes reveal the inhomogeneity of aqueous salt solutions

(2016) Andrey Shalit et al.   Nature Chemistry

Coherent two-dimensional terahertz-terahertz-Raman spectroscopy

(2016) Ian A. Finneran et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Nonlinear two-dimensional terahertz photon echo and rotational spectroscopy in the gas phase

(2016) Jian Lu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ultrafast phosphate hydration dynamics in bulk H2O

(2015) Rene Costard et al.   JOURNAL OF CHEMICAL PHYSICS

Focus: Phase-resolved nonlinear terahertz spectroscopy—From charge dynamics in solids to molecular excitations in liquids

(2015) Thomas Elsaesser et al.   JOURNAL OF CHEMICAL PHYSICS

Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

(2015) Pierre-André Cazade et al.   JOURNAL OF CHEMICAL PHYSICS

Low frequency 2D Raman-THz spectroscopy of ionic solution: A simulation study

(2015) Zhijun Pan et al.   JOURNAL OF CHEMICAL PHYSICS

Analysis of 2D THz-Raman spectroscopy using a non-Markovian Brownian oscillator model with nonlinear system-bath interactions

(2015) Tatsushi Ikeda et al.   JOURNAL OF CHEMICAL PHYSICS

Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field

(2015) Michael J. Robertson et al.   Journal of Chemical Theory and Computation

Reparametrized E3B (Explicit Three-Body) Water Model Using the TIP4P/2005 Model as a Reference

(2015) Craig J. Tainter et al.   Journal of Chemical Theory and Computation

Single-beam spectrally controlled two-dimensional Raman spectroscopy

(2015) Hadas Frostig et al.   Nature Photonics

Notes on simulating two-dimensional Raman and terahertz-Raman signals with a full molecular dynamics simulation approach

(2015) Hironobu Ito et al.   Structural Dynamics

2D-Raman-THz spectroscopy: A sensitive test of polarizable water models

(2014) Peter Hamm   JOURNAL OF CHEMICAL PHYSICS

Multidimensional resonance raman spectroscopy by six-wave mixing in the deep UV

(2014) Brian P. Molesky et al.   JOURNAL OF CHEMICAL PHYSICS

Calculating two-dimensional THz-Raman-THz and Raman-THz-THz signals for various molecular liquids: The samplers

(2014) Hironobu Ito et al.   JOURNAL OF CHEMICAL PHYSICS

Cooperative Contributions of the Intermolecular Charge Fluxes and Intramolecular Polarizations in the Far-Infrared Spectral Intensities of Liquid Water

(2014) Hajime Torii   Journal of Chemical Theory and Computation

Terahertz underdamped vibrational motion governs protein-ligand binding in solution

(2014) David A. Turton et al.   Nature Communications

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

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

Polarizable Water Models from Mixed Computational and Empirical Optimization

(2013) Philipp Tröster et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Systematic Improvement of a Classical Molecular Model of Water

(2013) Lee-Ping Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Two-dimensional Raman-terahertz spectroscopy of water

(2013) J. Savolainen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Evidence of two distinct local structures of water from ambient to supercooled conditions

(2013) A. Taschin et al.   Nature Communications

Two-dimensional-Raman-terahertz spectroscopy of water: Theory

(2012) Peter Hamm et al.   JOURNAL OF CHEMICAL PHYSICS

Note: Inverted time-ordering in two-dimensional-Raman-terahertz spectroscopy of water

(2012) Peter Hamm et al.   JOURNAL OF CHEMICAL PHYSICS

Interpretation of the water surface vibrational sum-frequency spectrum

(2011) P. A. Pieniazek et al.   JOURNAL OF CHEMICAL PHYSICS

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

The effects of charge transfer on the properties of liquid water

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

Intermolecular Electron Density Modulations in Water and Their Effects on the Far-Infrared Spectral Profiles at 6 THz

(2011) Hajime Torii   JOURNAL OF PHYSICAL CHEMISTRY B

THz Spectra and Dynamics of Aqueous Solutions Studied by the Ultrafast Optical Kerr Effect

(2011) Kamila Mazur et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Polarizable Water Model for Intramolecular and Intermolecular Vibrational Spectroscopies

(2011) Taisuke Hasegawa et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Low-Frequency Modes of Aqueous Alkali Halide Solutions: An Ultrafast Optical Kerr Effect Study

(2011) Ismael A. Heisler et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Watching the Low-Frequency Motions in Aqueous Salt Solutions: The Terahertz Vibrational Signatures of Hydrated Ions

(2011) Stefan Funkner et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Simulating water with rigid non-polarizable models: a general perspective

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Strong Correlation of Electronic and Lattice Excitations inGaAs/AlGaAsSemiconductor Quantum Wells Revealed by Two-Dimensional Terahertz Spectroscopy

(2011) W. Kuehn et al.   PHYSICAL REVIEW LETTERS

Erratum: “A second generation distributed point polarizable water model” [J. Chem. Phys. 132, 014309 (2010)]

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

Solvation of Magnesium Dication: Molecular Dynamics Simulation and Vibrational Spectroscopic Study of Magnesium Chloride in Aqueous Solutions

(2010) Karen M. Callahan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Two-Dimensional Terahertz Correlation Spectra of Electronic Excitations in Semiconductor Quantum Wells

(2010) W. Kuehn et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Low-Frequency Modes of Aqueous Alkali Halide Solutions: Glimpsing the Hydrogen Bonding Vibration

(2010) I. A. Heisler et al.   SCIENCE

Molecular Dynamics Simulation of Nonlinear Spectroscopies of Intermolecular Motions in Liquid Water

(2009) Takuma Yagasaki et al.   ACCOUNTS OF CHEMICAL RESEARCH

Phase-resolved two-dimensional spectroscopy based on collinear n-wave mixing in the ultrafast time domain

(2009) W. Kuehn et al.   JOURNAL OF CHEMICAL PHYSICS

Rattling in the Cage: Ions as Probes of Sub-picosecond Water Network Dynamics

(2009) Diedrich A. Schmidt et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications

(2009) Pedro E. M. Lopes et al.   THEORETICAL CHEMISTRY ACCOUNTS

Energy Flow in Proteins

(2008) David M. Leitner   Annual Review of Physical Chemistry

Two-dimensional fifth-order Raman spectroscopy of liquid formamide: Experiment and Theory

(2008) Y. L. Li 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

A Molecular Dynamics Study of Alkaline Earth Metal−Chloride Complexation in Aqueous Solution

(2008) James P. Larentzos et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Long-Range Influence of Carbohydrates on the Solvation Dynamics of WaterAnswers from Terahertz Absorption Measurements and Molecular Modeling Simulations

(2008) M. Heyden et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Water inertial reorientation: Hydrogen bond strength and the angular potential

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