Correlations in the solute–solvent dynamics reach beyond the first hydration shell of ions P Schienbein, G Schwaab, H Forbert, M Havenith, D Marx The journal of physical chemistry letters 8 (11), 2373-2380, 2017 | 90 | 2017 |
Supercritical water is not hydrogen bonded P Schienbein, D Marx Angewandte Chemie International Edition 59 (42), 18578-18585, 2020 | 49 | 2020 |
Liquid–Vapor Phase Diagram of RPBE-D3 Water: Electronic Properties along the Coexistence Curve and in the Supercritical Phase P Schienbein, D Marx The Journal of Physical Chemistry B 122 (13), 3318-3329, 2017 | 41 | 2017 |
Assessing the properties of supercritical water in terms of structural dynamics and electronic polarization effects P Schienbein, D Marx Physical Chemistry Chemical Physics 22 (19), 10462-10479, 2020 | 36 | 2020 |
Investigation concerning the uniqueness of separatrix lines separating liquidlike from gaslike regimes deep in the supercritical phase of water with a focus on Widom line concepts P Schienbein, D Marx Physical Review E 98 (2), 022104, 2018 | 33 | 2018 |
Spectroscopy from Machine Learning by Accurately Representing the Atomic Polar Tensor P Schienbein Journal of Chemical Theory and Computation 19 (3), 705-712, 2023 | 24 | 2023 |
Nanoconfinement effects on water in narrow graphene-based slit pores as revealed by THz spectroscopy S Ruiz-Barragan, F Sebastiani, P Schienbein, J Abraham, G Schwaab, ... Physical Chemistry Chemical Physics 24 (40), 24734-24747, 2022 | 19 | 2022 |
Nanosecond solvation dynamics of the hematite/liquid water interface at hybrid DFT accuracy using committee neural network potentials P Schienbein, J Blumberger Physical Chemistry Chemical Physics 24 (25), 15365-15375, 2022 | 19 | 2022 |
Terahertz Spectra of Microsolvated Ions: Do They Reveal Bulk Solvation Properties? PK Gupta, P Schienbein, J Daru, D Marx The journal of physical chemistry letters 10 (3), 393-398, 2019 | 10 | 2019 |
Machine learning the electric field response of condensed phase systems using perturbed neural network potentials K Joll, P Schienbein, KM Rosso, J Blumberger Nature Communications 15 (1), 8192, 2024 | 4 | 2024 |
Revealing the Molecular Origin of Anisotropy around Chloride Ions in Bulk Water A Jindal, P Schienbein, D Marx The Journal of Physical Chemistry Letters 15 (11), 3037-3042, 2024 | 2 | 2024 |
Solvation of small gold clusters in supercritical water J Noetzel, P Schienbein, H Forbert, D Marx Journal of Molecular Liquids 362, 119715, 2022 | 2 | 2022 |
Data‐Efficient Active Learning for Thermodynamic Integration: Acidity Constants of BiVO4 in Water P Schienbein, J Blumberger ChemPhysChem, e202400490, 2024 | 1 | 2024 |
Theoretical terahertz spectroscopy of free radical solutes in solution: an EPR spin probe in water B Sharma, P Schienbein, H Forbert, D Marx Physical Chemistry Chemical Physics 26 (44), 27879-27890, 2024 | 1 | 2024 |
Mechanism of Fe (II) Chemisorption on Hematite (001) Revealed by Reactive Neural Network Potential Molecular Dynamics K Joll, P Schienbein, KM Rosso, J Blumberger The Journal of Physical Chemistry Letters 16, 848-856, 2025 | | 2025 |
Ion Effects on Terahertz Spectra of Microsolvated Clusters A Jindal, P Schienbein, PK Gupta, D Marx The Journal of Physical Chemistry Letters 15 (50), 12387-12392, 2024 | | 2024 |
Solvation Properties of Neutral Gold Species in Supercritical Water Studied By THz Spectroscopy J Noetzel, P Schienbein, H Forbert, D Marx Angewandte Chemie International Edition, e202402120, 2024 | | 2024 |
Molecular dynamics simulation with finite electric fields using Perturbed Neural Network Potentials K Joll, P Schienbein, KM Rosso, J Blumberger arXiv preprint arXiv:2403.12319, 2024 | | 2024 |
Cover Picture: Supercritical Water is not Hydrogen Bonded (Angew. Chem. Int. Ed. 42/2020) P Schienbein, D Marx Angewandte Chemie International Edition 59 (42), 18277-18277, 2020 | | 2020 |
Titelbild: Supercritical Water is not Hydrogen Bonded (Angew. Chem. 42/2020) P Schienbein, D Marx Angewandte Chemie 132 (42), 18433-18433, 2020 | | 2020 |