Publications by authors named "Harald Forbert"

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Scrutinizing oxygen isotope effects in liquid water with coupled cluster accuracy.
Nore Stolte, Harald Forbert, Dominik Marx

J Chem Phys· October 2025

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Distinct solvation patterns of OH versus HO charge defects at electrified gold/water interfaces govern their properties.
Chanbum Park, Soumya Ghosh, Harald Forbert, Dominik Marx

Nat Commun· September 2025

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Contribution of Water Molecules to the Electronic Dipole Moment across the Gold-Water Interface.
Soumya Ghosh, Chanbum Park, Harald Forbert, Dominik Marx

Phys Rev Lett· June 2025

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Accurate Determination of Isotope Effects on the Dynamics of H-Bond Breaking and Making in Liquid Water.
Ravi Malik, Nore Stolte, Harald Forbert, Amalendu Chandra, Dominik Marx

J Phys Chem Lett· April 2025

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When theory meets experiment: What does it take to accurately predict 1H NMR dipolar relaxation rates in neat liquid water from theory?
Dietmar Paschek, Johanna Busch, Angel Mary Chiramel Tony, Ralf Ludwig, Anne Strate, Harald Forbert

J Chem Phys· February 2025

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On the complex hydrogen-bond network structural dynamics of liquid methanol: Chains, rings, bifurcations, and lifetimes.
Sebastian Blach, Harald Forbert, Dominik Marx

J Chem Phys· February 2025

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Random Sampling Versus Active Learning Algorithms for Machine Learning Potentials of Quantum Liquid Water.
Nore Stolte, János Daru, Harald Forbert, Dominik Marx, Jörg Behler

J Chem Theory Comput· January 2025

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Nuclear Quantum Effects in Liquid Water Are Marginal for Its Average Structure but Significant for Dynamics.
Nore Stolte, János Daru, Harald Forbert, Jörg Behler, Dominik Marx

J Phys Chem Lett· December 2024

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Theoretical terahertz spectroscopy of free radical solutes in solution: an EPR spin probe in water.
Bikramjit Sharma, Philipp Schienbein, Harald Forbert, Dominik Marx

Phys Chem Chem Phys· November 2024

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Solvation Properties of Neutral Gold Species in Supercritical Water Studied By THz Spectroscopy.
Jan Noetzel, Philipp Schienbein, Harald Forbert, Dominik Marx

Angew Chem Int Ed Engl· July 2024

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Anisotropic pressure effects on nanoconfined water within narrow graphene slit pores.
Sergi Ruiz-Barragan, Harald Forbert, Dominik Marx

Phys Chem Chem Phys· October 2023

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Elucidating the Self-cleavage Dynamics of Hairpin Ribozyme by Mode-decomposed Infrared Spectroscopy.
Adnan Gulzar, Jan Noetzel, Harald Forbert, Dominik Marx

J Phys Chem Lett· September 2023

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Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water Benchmark.
János Daru, Harald Forbert, Jörg Behler, Dominik Marx

Phys Rev Lett· November 2022

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Internal Electric Field-Induced Formation of Exotic Linear Acetonitrile Chains.
Devendra Mani, Tarun Kumar Roy, Jai Khatri, Gerhard Schwaab, Sebastian Blach, Harald Forbert

J Phys Chem Lett· July 2022

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Dielectric relaxation of water: assessing the impact of localized modes, translational diffusion, and collective dynamics.
Christoph Hölzl, Harald Forbert, Dominik Marx

Phys Chem Chem Phys· September 2021

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Aqueous TMAO solution under high hydrostatic pressure.
Inga Kolling, Christoph Hölzl, Sho Imoto, Serena R Alfarano, Hendrik Vondracek, Harald Forbert

Phys Chem Chem Phys· May 2021

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Probing Local Electrostatics of Glycine in Aqueous Solution by THz Spectroscopy.
Federico Sebastiani, Chun Yu Ma, Sarah Funke, Alexander Bäumer, Dominique Decka, Harald Forbert

Angew Chem Int Ed Engl· February 2021

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Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective.
Fabien Brieuc, Christoph Schran, Felix Uhl, Harald Forbert, Dominik Marx

J Chem Phys· June 2020

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Settling the Long-Standing Debate on the Proton Storage Site of the Prototype Light-Driven Proton Pump Bacteriorhodopsin.
Ravi Tripathi, Harald Forbert, Dominik Marx

J Phys Chem B· November 2019

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Acid solvation versus dissociation at "stardust conditions": Reaction sequence matters.
Devendra Mani, Ricardo Pérez de Tudela, Raffael Schwan, Nitish Pal, Saskia Körning, Harald Forbert

Sci Adv· June 2019

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Toward theoretical terahertz spectroscopy of glassy aqueous solutions: partially frozen solute-solvent couplings of glycine in water.
Prashant Kumar Gupta, Alexander Esser, Harald Forbert, Dominik Marx

Phys Chem Chem Phys· February 2019

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Hydrophilic Solvation Dominates the Terahertz Fingerprint of Amino Acids in Water.
Alexander Esser, Harald Forbert, Federico Sebastiani, Gerhard Schwaab, Martina Havenith

J Phys Chem B· February 2018

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Aqueous TMAO solutions as seen by theoretical THz spectroscopy: hydrophilic versus hydrophobic water.
Sho Imoto, Harald Forbert, Dominik Marx

Phys Chem Chem Phys· February 2018

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Tagging effects on the mid-infrared spectrum of microsolvated protonated methane.
Alexander Esser, Harald Forbert, Dominik Marx

Chem Sci· February 2018

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Correlations in the Solute-Solvent Dynamics Reach Beyond the First Hydration Shell of Ions.
Philipp Schienbein, Gerhard Schwaab, Harald Forbert, Martina Havenith, Dominik Marx

J Phys Chem Lett· June 2017

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