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Dielectric relaxation of water: assessing the impact of localized modes, translational diffusion, and collective dynamics

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (37), p.2875-2882

2021

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Settling the Long-Standing Debate on the Proton Storage Site of the Prototype Light-Driven Proton Pump Bacteriorhodopsin

The journal of physical chemistry. B, 2019-11, Vol.123 (45), p.9598-9608

2019

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Water structure and solvation of osmolytes at high hydrostatic pressure: pure water and TMAO solutions at 10 kbar versus 1 bar

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (37), p.24224-24237

2015

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Correlations in the Solute–Solvent Dynamics Reach Beyond the First Hydration Shell of Ions

The journal of physical chemistry letters, 2017-06, Vol.8 (11), p.2373-2380

2017

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

Proceedings of the National Academy of Sciences - PNAS, 2010-07, Vol.107 (27), p.12068-12073

2010

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On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy

The Journal of chemical physics, 2009-05, Vol.130 (19), p.194510-194510-15

2009

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Understanding THz Spectra of Aqueous Solutions: Glycine in Light and Heavy Water

Journal of the American Chemical Society, 2014-04, Vol.136 (13), p.5031-5038

2014

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Tagging effects on the mid-infrared spectrum of microsolvated protonated methane

Chemical science (Cambridge), 2018, Vol.9 (6), p.1560-1573

2018

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Solvation shell resolved THz spectra of simple aqua ions - distinct distance- and frequency-dependent contributions of solvation shells

Physical chemistry chemical physics : PCCP, 2015-04, Vol.17 (13), p.8323-8329

2015

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Glycine in aqueous solution: solvation shells, interfacial water,and vibrational spectroscopy from ab initio molecular dynamics

The Journal of chemical physics, 2010-09, Vol.133 (11), p.114508-114508-10

2010

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Correlated Particle Motion and THz Spectral Response of Supercritical Water

Physical review letters, 2016-01, Vol.116 (2), p.027801-027801, Article 027801

2016

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Spatial decomposition and assignment of infrared spectra of simple ions in water from mid-infrared to THz frequencies: Li(+)(aq) and F(-)(aq)

The Journal of chemical physics, 2013-07, Vol.139 (1), p.014506-014506

2013

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Reactive path integral quantum simulations of molecules solvated in superfluid helium

Computer physics communications, 2014-03, Vol.185 (3), p.884-899

2014

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Aggregation-Induced Chemical Reactions: Acid Dissociation in Growing Water Clusters

Journal of the American Chemical Society, 2011-03, Vol.133 (11), p.4062-4072

2011

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High resolution spectroscopy of HCl-water clusters: IR bands of undissociated and dissociated clusters revisited

The Journal of chemical physics, 2013-10, Vol.139 (15), p.154304-154304

2013

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Revealing the Subtle Interplay of Thermal and Quantum Fluctuation Effects on Contact Ion Pairing in Microsolvated HCl

Chemphyschem, 2013-03, Vol.14 (4), p.817-826

2013

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Connecting Structure to Infrared Spectra of Molecular and Autodissociated HCl−Water Aggregates

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-12, Vol.111 (49), p.12181-12191

2007

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Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water Benchmark

Physical review letters, 2022-11, Vol.129 (22), p.226001-226001, Article 226001

2022

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Solvation Properties of Neutral Gold Species in Supercritical Water Studied By THz Spectroscopy

Angewandte Chemie International Edition, 2024-07, Vol.63 (28), p.e202402120-n/a

International ed. in English, 2024

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Anisotropic pressure effects on nanoconfined water within narrow graphene slit pores

Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (41), p.28119-28129

2023

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Back Cover: Solvation Properties of Neutral Gold Species in Supercritical Water Studied By THz Spectroscopy (Angew. Chem. Int. Ed. 28/2024)

Angewandte Chemie International Edition, 2024-07, Vol.63 (28), p.n/a

2024

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Theoretical terahertz spectroscopy of free radical solutes in solution: an EPR spin probe in water

Physical chemistry chemical physics : PCCP, 2024-09

2024

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Elucidating the Self-cleavage Dynamics of Hairpin Ribozyme by Mode-decomposed Infrared Spectroscopy

The journal of physical chemistry letters, 2023-09, Vol.14 (35), p.7940-7945

2023

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Aqueous TMAO solutions as seen by theoretical THz spectroscopy: hydrophilic versus hydrophobic water

Physical chemistry chemical physics : PCCP, 2018-02, Vol.2 (9), p.6146-6158

2018

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Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective

The Journal of chemical physics, 2020-06, Vol.152 (21), p.210901-210901

2020

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Dielectric relaxation of water: assessing the impact of localized modes, translational diffusion, and collective dynamics

Settling the Long-Standing Debate on the Proton Storage Site of the Prototype Light-Driven Proton Pump Bacteriorhodopsin

Water structure and solvation of osmolytes at high hydrostatic pressure: pure water and TMAO solutions at 10 kbar versus 1 bar

Correlations in the Solute–Solvent Dynamics Reach Beyond the First Hydration Shell of Ions

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

On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy

Understanding THz Spectra of Aqueous Solutions: Glycine in Light and Heavy Water

Tagging effects on the mid-infrared spectrum of microsolvated protonated methane

Solvation shell resolved THz spectra of simple aqua ions - distinct distance- and frequency-dependent contributions of solvation shells

Glycine in aqueous solution: solvation shells, interfacial water,and vibrational spectroscopy from ab initio molecular dynamics

Correlated Particle Motion and THz Spectral Response of Supercritical Water

Spatial decomposition and assignment of infrared spectra of simple ions in water from mid-infrared to THz frequencies: Li(+)(aq) and F(-)(aq)

Reactive path integral quantum simulations of molecules solvated in superfluid helium

Aggregation-Induced Chemical Reactions: Acid Dissociation in Growing Water Clusters

High resolution spectroscopy of HCl-water clusters: IR bands of undissociated and dissociated clusters revisited

Revealing the Subtle Interplay of Thermal and Quantum Fluctuation Effects on Contact Ion Pairing in Microsolvated HCl

Connecting Structure to Infrared Spectra of Molecular and Autodissociated HCl−Water Aggregates

Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water Benchmark

Solvation Properties of Neutral Gold Species in Supercritical Water Studied By THz Spectroscopy

Anisotropic pressure effects on nanoconfined water within narrow graphene slit pores

Back Cover: Solvation Properties of Neutral Gold Species in Supercritical Water Studied By THz Spectroscopy (Angew. Chem. Int. Ed. 28/2024)

Theoretical terahertz spectroscopy of free radical solutes in solution: an EPR spin probe in water

Elucidating the Self-cleavage Dynamics of Hairpin Ribozyme by Mode-decomposed Infrared Spectroscopy

Aqueous TMAO solutions as seen by theoretical THz spectroscopy: hydrophilic versus hydrophobic water

Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective

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