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1

Interaction-induced localisation of protons in hydrogen bonds at superfluid helium temperatures

Walewski, Łukasz, Forbert, Harald, Marx, Dominik

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 1.12 MB

english, 2013

2

Reactive path integral quantum simulations of molecules solvated in superfluid helium

Walewski, Łukasz, Forbert, Harald, Marx, Dominik

Journal:

Computer Physics Communications

Year:

2014

Language:

english

File:

PDF, 863 KB

english, 2014

3

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

Śmiechowski, Maciej, Sun, Jian, Forbert, Harald, Marx, Dominik

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.10 MB

english, 2015

4

Solvation of molecules in superfluid helium enhances the “interaction induced localization” effect

Walewski, Łukasz, Forbert, Harald, Marx, Dominik

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 784 KB

english, 2014

5

Water Structure and Solvation of Osmolytes at High Hydrostatic Pressure: Pure Water and TMAO Solutions at 10 kbar versus 1 bar

Imoto, Sho, Forbert, Harald, Marx, Dominik

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.14 MB

english, 2015

6

Correlated Particle Motion and THz Spectral Response of Supercritical Water

Śmiechowski, Maciej, Schran, Christoph, Forbert, Harald, Marx, Dominik

Journal:

Physical Review Letters

Year:

2016

Language:

english

File:

PDF, 1.12 MB

english, 2016

7

ChemInform Abstract: Aggregation-Induced Dissociation of HCl(H2O)4 Below 1 K: The Smallest Droplet of Acid.

Anna Gutberlet, Gerhard Schwaab, Oezguer Birer, Marco Masia, Anna Kaczmarek, Harald Forbert, Martina Havenith, Dominik Marx

Journal:

Year:

2009

File:

PDF, 13 KB

2009

8

Calculation of the permanent of a sparse positive matrix

Harald Forbert, Dominik Marx

Journal:

Computer Physics Communications

Year:

2003

Language:

english

File:

PDF, 101 KB

english, 2003

9

Quantum expulsion of impurities from a Bose–Einstein condensate

Siu A. Chin, Harald A. Forbert

Journal:

Physics Letters A

Year:

2000

Language:

english

File:

PDF, 147 KB

english, 2000

10

Quantum expulsion of impurities from a Bose condensate

Siu A Chin, Harald A Forbert

Journal:

Physica B: Condensed Matter

Year:

2000

Language:

english

File:

PDF, 65 KB

english, 2000

11

Quantum Induced Bond Centering in Microsolvated HCl: Solvent Separated versus Contact Ion Pairs

Walewski, Łukasz, Forbert, Harald, Marx, Dominik

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 1.09 MB

english, 2011

12

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

Masia, Marco, Forbert, Harald, Marx, Dominik

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 190 KB

english, 2007

13

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

Forbert, Harald, Masia, Marco, Kaczmarek-Kedziera, Anna, Nair, Nisanth N., Marx, Dominik

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 3.10 MB

english, 2011

14

Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water

Heyden, Matthias, Sun, Jian, Forbert, Harald, Mathias, Gerald, Havenith, Martina, Marx, Dominik

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1.42 MB

english, 2012

15

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

Sun, Jian, Bousquet, David, Forbert, Harald, Marx, Dominik

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 854 KB

english, 2010

16

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

Walewski, Łukasz, Forbert, Harald, Marx, Dominik

Journal:

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

17

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

Śmiechowski, Maciej, Forbert, Harald, Marx, Dominik

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.45 MB

english, 2013

18

Microsolvation of Protonated Methane: Structures and Energetics of CH 5+ (H 2 ) n

Witt, Alexander, Ivanov, Sergei D., Forbert, Harald, Marx, Dominik

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 876 KB

english, 2008

19

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

Sun, Jian, Niehues, Gudrun, Forbert, Harald, Decka, Dominique, Schwaab, Gerhard, Marx, Dominik, Havenith, Martina

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 840 KB

english, 2014

20

Constructing simple yet accurate potentials for describing the solvation of HCl/waterclusters in bulk helium and nanodroplets

Daniel Boese, A., Forbert, Harald, Masia, Marco, Tekin, Adem, Marx, Dominik, Jansen, Georg

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.52 MB

english, 2011

21

Fourth-order algorithms for solving the multivariable Langevin equation and the Kramers equation

Forbert, Harald A., Chin, Siu A.

Journal:

Physical Review E

Year:

2000

Language:

english

File:

PDF, 89 KB

english, 2000

22

Fourth-order diffusion Monte Carlo algorithms for solving quantum many-body problems

Forbert, Harald A., Chin, Siu A.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 113 KB

english, 2001

23

Adding flexibility to the “particles-on-a-sphere” model for large-amplitude motion: POSflex force field for protonated methane

Uhl, Felix, Walewski, Łukasz, Forbert, Harald, Marx, Dominik

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 834 KB

english, 2014

24

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

Witt, Alexander, Ivanov, Sergei D., Shiga, Motoyuki, Forbert, Harald, Marx, Dominik

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 659 KB

english, 2009

25

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

Letzner, Melanie, Gruen, Sarah, Habig, Daniel, Hanke, Kenny, Endres, Torsten, Nieto, Pablo, Schwaab, Gerhard, Walewski, Łukasz, Wollenhaupt, Miriam, Forbert, Harald, Marx, Dominik, Havenith, Martina

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

26

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

Matthias Heyden, Jian Sun, Stefan Funkner, Gerald Mathias, Harald Forbert, Martina Havenith, Dominik Marx and Michael L. Klein

Journal:

Proceedings of the National Academy of Sciences

Year:

2010

Language:

english

File:

PDF, 1.43 MB

english, 2010

27

Constructing accurate interaction potentials to describe the microsolvation of protonated methane by helium atoms

Kuchenbecker, Dennis, Uhl, Felix, Forbert, Harald, Jansen, Georg, Marx, Dominik

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 4.38 MB

english, 2017

28

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

Schienbein, Philipp, Schwaab, Gerhard, Forbert, Harald, Havenith, Martina, Marx, Dominik

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 884 KB

english, 2017

29

Tagging Effects on the Mid-Infrared Spectrum of Microsolvated Protonated Methane

Esser, Alexander, Forbert, Harald, Marx, Dominik

Journal:

Chemical Science

Year:

2017

Language:

english

File:

PDF, 1.53 MB

english, 2017

30

Hydrophilic Solvation Dominates the THz Fingerprint of Amino Acids in Water

Esser, Alexander, Forbert, Harald, Sebastiani, Federico, Schwaab, Gerhard, Havenith, Martina, Marx, Dominik

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 481 KB

english, 2017

31

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

Imoto, Sho, Forbert, Harald, Marx, Dominik

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.84 MB

english, 2018

32

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

Tripathi, Ravi, Forbert, Harald, Marx, Dominik

Journal:

Journal of Physical Chemistry B

Year:

2019

Language:

english

File:

PDF, 1.42 MB

english, 2019

33

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

Brieuc, Fabien, Schran, Christoph, Uhl, Felix, Forbert, Harald, Marx, Dominik

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 2.35 MB

2020

34

Probing local electrostatics of glycine in aqueous solution by THz spectroscopy

Havenith-Newen, Martina, Sebastiani, Federico, Ma, Chun Yu, Funke, Sarah, BÃ¤umer, Alexander, Decka, Dominique, Hoberg, Claudius, Esser, Alexander, Forbert, Harald, Schwaab, Gerhard, Marx, Dominik

Journal:

Angewandte Chemie International Edition

Year:

2020

File:

PDF, 1.16 MB

2020

35

Probing Local Electrostatics of Glycine in Aqueous Solution by THz Spectroscopy

Sebastiani, Federico, Ma, Chun Yu, Funke, Sarah, BÃ¤umer, Alexander, Decka, Dominique, Hoberg, Claudius, Esser, Alexander, Forbert, Harald, Schwaab, Gerhard, Marx, Dominik, Havenith, Martina

Journal:

Angewandte Chemie

Year:

2020

File:

PDF, 1.39 MB

2020

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