---
_id: '44997'
author:
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: J.
  full_name: Radicke, J.
  last_name: Radicke
- first_name: M.
  full_name: Pulst, M.
  last_name: Pulst
- first_name: F.
  full_name: Shaabani, F.
  last_name: Shaabani
- first_name: D.
  full_name: Sebastiani, D.
  last_name: Sebastiani
- first_name: J.
  full_name: Kressler, J.
  last_name: Kressler
citation:
  ama: Brehm M, Radicke J, Pulst M, Shaabani F, Sebastiani D, Kressler J. Dissolving
    Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic
    Anions. <i>Molecules</i>. 2020;25 (15):3539. doi:<a href="https://doi.org/10.3390/molecules25153539">10.3390/molecules25153539</a>
  apa: Brehm, M., Radicke, J., Pulst, M., Shaabani, F., Sebastiani, D., &#38; Kressler,
    J. (2020). Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic
    Liquids with Aromatic Anions. <i>Molecules</i>, <i>25 (15)</i>, 3539. <a href="https://doi.org/10.3390/molecules25153539">https://doi.org/10.3390/molecules25153539</a>
  bibtex: '@article{Brehm_Radicke_Pulst_Shaabani_Sebastiani_Kressler_2020, title={Dissolving
    Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids with Aromatic
    Anions}, volume={25 (15)}, DOI={<a href="https://doi.org/10.3390/molecules25153539">10.3390/molecules25153539</a>},
    journal={Molecules}, author={Brehm, Martin and Radicke, J. and Pulst, M. and Shaabani,
    F. and Sebastiani, D. and Kressler, J.}, year={2020}, pages={3539} }'
  chicago: 'Brehm, Martin, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, and J.
    Kressler. “Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic
    Liquids with Aromatic Anions.” <i>Molecules</i> 25 (15) (2020): 3539. <a href="https://doi.org/10.3390/molecules25153539">https://doi.org/10.3390/molecules25153539</a>.'
  ieee: 'M. Brehm, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, and J. Kressler,
    “Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids
    with Aromatic Anions,” <i>Molecules</i>, vol. 25 (15), p. 3539, 2020, doi: <a
    href="https://doi.org/10.3390/molecules25153539">10.3390/molecules25153539</a>.'
  mla: Brehm, Martin, et al. “Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based
    Ionic Liquids with Aromatic Anions.” <i>Molecules</i>, vol. 25 (15), 2020, p.
    3539, doi:<a href="https://doi.org/10.3390/molecules25153539">10.3390/molecules25153539</a>.
  short: M. Brehm, J. Radicke, M. Pulst, F. Shaabani, D. Sebastiani, J. Kressler,
    Molecules 25 (15) (2020) 3539.
date_created: 2023-05-16T20:22:03Z
date_updated: 2023-05-16T20:45:41Z
department:
- _id: '803'
doi: 10.3390/molecules25153539
extern: '1'
language:
- iso: eng
page: '3539'
publication: Molecules
status: public
title: Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic Liquids
  with Aromatic Anions
type: journal_article
user_id: '100167'
volume: 25 (15)
year: '2020'
...
---
_id: '44998'
author:
- first_name: J.
  full_name: Hunold, J.
  last_name: Hunold
- first_name: J.
  full_name: Eisermann, J.
  last_name: Eisermann
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: D.
  full_name: Hinderberger, D.
  last_name: Hinderberger
citation:
  ama: Hunold J, Eisermann J, Brehm M, Hinderberger D. Characterization of Aqueous
    Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in Water. <i>J
    Phys Chem B</i>. 2020;124 (39):8601-8609. doi:<a href="https://doi.org/10.1021/acs.jpcb.0c04863">10.1021/acs.jpcb.0c04863</a>
  apa: Hunold, J., Eisermann, J., Brehm, M., &#38; Hinderberger, D. (2020). Characterization
    of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in
    Water. <i>J. Phys. Chem. B</i>, <i>124 (39)</i>, 8601–8609. <a href="https://doi.org/10.1021/acs.jpcb.0c04863">https://doi.org/10.1021/acs.jpcb.0c04863</a>
  bibtex: '@article{Hunold_Eisermann_Brehm_Hinderberger_2020, title={Characterization
    of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in
    Water}, volume={124 (39)}, DOI={<a href="https://doi.org/10.1021/acs.jpcb.0c04863">10.1021/acs.jpcb.0c04863</a>},
    journal={J. Phys. Chem. B}, author={Hunold, J. and Eisermann, J. and Brehm, Martin
    and Hinderberger, D.}, year={2020}, pages={8601–8609} }'
  chicago: 'Hunold, J., J. Eisermann, Martin Brehm, and D. Hinderberger. “Characterization
    of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in
    Water.” <i>J. Phys. Chem. B</i> 124 (39) (2020): 8601–9. <a href="https://doi.org/10.1021/acs.jpcb.0c04863">https://doi.org/10.1021/acs.jpcb.0c04863</a>.'
  ieee: 'J. Hunold, J. Eisermann, M. Brehm, and D. Hinderberger, “Characterization
    of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in
    Water,” <i>J. Phys. Chem. B</i>, vol. 124 (39), pp. 8601–8609, 2020, doi: <a href="https://doi.org/10.1021/acs.jpcb.0c04863">10.1021/acs.jpcb.0c04863</a>.'
  mla: Hunold, J., et al. “Characterization of Aqueous Lower Polarity Solvation Shells
    Around Amphiphilic TEMPO Radicals in Water.” <i>J. Phys. Chem. B</i>, vol. 124
    (39), 2020, pp. 8601–09, doi:<a href="https://doi.org/10.1021/acs.jpcb.0c04863">10.1021/acs.jpcb.0c04863</a>.
  short: J. Hunold, J. Eisermann, M. Brehm, D. Hinderberger, J. Phys. Chem. B 124
    (39) (2020) 8601–8609.
date_created: 2023-05-16T20:22:04Z
date_updated: 2023-05-16T20:46:21Z
department:
- _id: '803'
doi: 10.1021/acs.jpcb.0c04863
extern: '1'
language:
- iso: eng
page: 8601-8609
publication: J. Phys. Chem. B
status: public
title: Characterization of Aqueous Lower Polarity Solvation Shells Around Amphiphilic
  TEMPO Radicals in Water
type: journal_article
user_id: '100167'
volume: 124 (39)
year: '2020'
...
---
_id: '44993'
author:
- first_name: L.
  full_name: Scarbath-Evers, L.
  last_name: Scarbath-Evers
- first_name: R.
  full_name: Hammer, R.
  last_name: Hammer
- first_name: D.
  full_name: Golze, D.
  last_name: Golze
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: D.
  full_name: Sebastiani, D.
  last_name: Sebastiani
- first_name: W.
  full_name: Widdra, W.
  last_name: Widdra
citation:
  ama: 'Scarbath-Evers L, Hammer R, Golze D, Brehm M, Sebastiani D, Widdra W. From
    Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth. <i>Nanoscale</i>.
    2020;12:3834-3845. doi:<a href="https://doi.org/10.1039/C9NR06592J">10.1039/C9NR06592J</a>'
  apa: 'Scarbath-Evers, L., Hammer, R., Golze, D., Brehm, M., Sebastiani, D., &#38;
    Widdra, W. (2020). From Flat to Tilted: Gradual Interfaces in Organic Thin Film
    Growth. <i>Nanoscale</i>, <i>12</i>, 3834–3845. <a href="https://doi.org/10.1039/C9NR06592J">https://doi.org/10.1039/C9NR06592J</a>'
  bibtex: '@article{Scarbath-Evers_Hammer_Golze_Brehm_Sebastiani_Widdra_2020, title={From
    Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth}, volume={12},
    DOI={<a href="https://doi.org/10.1039/C9NR06592J">10.1039/C9NR06592J</a>}, journal={Nanoscale},
    author={Scarbath-Evers, L. and Hammer, R. and Golze, D. and Brehm, Martin and
    Sebastiani, D. and Widdra, W.}, year={2020}, pages={3834–3845} }'
  chicago: 'Scarbath-Evers, L., R. Hammer, D. Golze, Martin Brehm, D. Sebastiani,
    and W. Widdra. “From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth.”
    <i>Nanoscale</i> 12 (2020): 3834–45. <a href="https://doi.org/10.1039/C9NR06592J">https://doi.org/10.1039/C9NR06592J</a>.'
  ieee: 'L. Scarbath-Evers, R. Hammer, D. Golze, M. Brehm, D. Sebastiani, and W. Widdra,
    “From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth,” <i>Nanoscale</i>,
    vol. 12, pp. 3834–3845, 2020, doi: <a href="https://doi.org/10.1039/C9NR06592J">10.1039/C9NR06592J</a>.'
  mla: 'Scarbath-Evers, L., et al. “From Flat to Tilted: Gradual Interfaces in Organic
    Thin Film Growth.” <i>Nanoscale</i>, vol. 12, 2020, pp. 3834–45, doi:<a href="https://doi.org/10.1039/C9NR06592J">10.1039/C9NR06592J</a>.'
  short: L. Scarbath-Evers, R. Hammer, D. Golze, M. Brehm, D. Sebastiani, W. Widdra,
    Nanoscale 12 (2020) 3834–3845.
date_created: 2023-05-16T20:22:03Z
date_updated: 2023-05-16T20:45:28Z
department:
- _id: '803'
doi: 10.1039/C9NR06592J
extern: '1'
intvolume: '        12'
language:
- iso: eng
page: 3834-3845
publication: Nanoscale
status: public
title: 'From Flat to Tilted: Gradual Interfaces in Organic Thin Film Growth'
type: journal_article
user_id: '100167'
volume: 12
year: '2020'
...
---
_id: '44994'
author:
- first_name: C.
  full_name: Dreßler, C.
  last_name: Dreßler
- first_name: G.
  full_name: Kabbe, G.
  last_name: Kabbe
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: D.
  full_name: Sebastiani, D.
  last_name: Sebastiani
citation:
  ama: Dreßler C, Kabbe G, Brehm M, Sebastiani D. Dynamical Matrix Propagator Scheme
    for Large-Scale Proton Dynamics Simulations. <i>J Chem Phys</i>. 2020;152 (11):114114.
    doi:<a href="https://doi.org/10.1063/1.5140635">10.1063/1.5140635</a>
  apa: Dreßler, C., Kabbe, G., Brehm, M., &#38; Sebastiani, D. (2020). Dynamical Matrix
    Propagator Scheme for Large-Scale Proton Dynamics Simulations. <i>J. Chem. Phys.</i>,
    <i>152 (11)</i>, 114114. <a href="https://doi.org/10.1063/1.5140635">https://doi.org/10.1063/1.5140635</a>
  bibtex: '@article{Dreßler_Kabbe_Brehm_Sebastiani_2020, title={Dynamical Matrix Propagator
    Scheme for Large-Scale Proton Dynamics Simulations}, volume={152 (11)}, DOI={<a
    href="https://doi.org/10.1063/1.5140635">10.1063/1.5140635</a>}, journal={J. Chem.
    Phys.}, author={Dreßler, C. and Kabbe, G. and Brehm, Martin and Sebastiani, D.},
    year={2020}, pages={114114} }'
  chicago: 'Dreßler, C., G. Kabbe, Martin Brehm, and D. Sebastiani. “Dynamical Matrix
    Propagator Scheme for Large-Scale Proton Dynamics Simulations.” <i>J. Chem. Phys.</i>
    152 (11) (2020): 114114. <a href="https://doi.org/10.1063/1.5140635">https://doi.org/10.1063/1.5140635</a>.'
  ieee: 'C. Dreßler, G. Kabbe, M. Brehm, and D. Sebastiani, “Dynamical Matrix Propagator
    Scheme for Large-Scale Proton Dynamics Simulations,” <i>J. Chem. Phys.</i>, vol.
    152 (11), p. 114114, 2020, doi: <a href="https://doi.org/10.1063/1.5140635">10.1063/1.5140635</a>.'
  mla: Dreßler, C., et al. “Dynamical Matrix Propagator Scheme for Large-Scale Proton
    Dynamics Simulations.” <i>J. Chem. Phys.</i>, vol. 152 (11), 2020, p. 114114,
    doi:<a href="https://doi.org/10.1063/1.5140635">10.1063/1.5140635</a>.
  short: C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani, J. Chem. Phys. 152 (11) (2020)
    114114.
date_created: 2023-05-16T20:22:03Z
date_updated: 2023-05-16T20:44:54Z
department:
- _id: '803'
doi: 10.1063/1.5140635
extern: '1'
language:
- iso: eng
page: '114114'
publication: J. Chem. Phys.
status: public
title: Dynamical Matrix Propagator Scheme for Large-Scale Proton Dynamics Simulations
type: journal_article
user_id: '100167'
volume: 152 (11)
year: '2020'
...
---
_id: '44999'
author:
- first_name: M.
  full_name: Weiß, M.
  last_name: Weiß
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
citation:
  ama: Weiß M, Brehm M. Exploring Free Energy Profiles of Enantioselective Organocatalytic
    Aldol Reactions under Full Solvent Influence. <i>Molecules</i>. 2020;25 (24):5861.
    doi:<a href="https://doi.org/10.3390/molecules25245861">10.3390/molecules25245861</a>
  apa: Weiß, M., &#38; Brehm, M. (2020). Exploring Free Energy Profiles of Enantioselective
    Organocatalytic Aldol Reactions under Full Solvent Influence. <i>Molecules</i>,
    <i>25 (24)</i>, 5861. <a href="https://doi.org/10.3390/molecules25245861">https://doi.org/10.3390/molecules25245861</a>
  bibtex: '@article{Weiß_Brehm_2020, title={Exploring Free Energy Profiles of Enantioselective
    Organocatalytic Aldol Reactions under Full Solvent Influence}, volume={25 (24)},
    DOI={<a href="https://doi.org/10.3390/molecules25245861">10.3390/molecules25245861</a>},
    journal={Molecules}, author={Weiß, M. and Brehm, Martin}, year={2020}, pages={5861}
    }'
  chicago: 'Weiß, M., and Martin Brehm. “Exploring Free Energy Profiles of Enantioselective
    Organocatalytic Aldol Reactions under Full Solvent Influence.” <i>Molecules</i>
    25 (24) (2020): 5861. <a href="https://doi.org/10.3390/molecules25245861">https://doi.org/10.3390/molecules25245861</a>.'
  ieee: 'M. Weiß and M. Brehm, “Exploring Free Energy Profiles of Enantioselective
    Organocatalytic Aldol Reactions under Full Solvent Influence,” <i>Molecules</i>,
    vol. 25 (24), p. 5861, 2020, doi: <a href="https://doi.org/10.3390/molecules25245861">10.3390/molecules25245861</a>.'
  mla: Weiß, M., and Martin Brehm. “Exploring Free Energy Profiles of Enantioselective
    Organocatalytic Aldol Reactions under Full Solvent Influence.” <i>Molecules</i>,
    vol. 25 (24), 2020, p. 5861, doi:<a href="https://doi.org/10.3390/molecules25245861">10.3390/molecules25245861</a>.
  short: M. Weiß, M. Brehm, Molecules 25 (24) (2020) 5861.
date_created: 2023-05-16T20:22:04Z
date_updated: 2023-05-16T20:46:08Z
department:
- _id: '803'
doi: 10.3390/molecules25245861
extern: '1'
language:
- iso: eng
page: '5861'
publication: Molecules
status: public
title: Exploring Free Energy Profiles of Enantioselective Organocatalytic Aldol Reactions
  under Full Solvent Influence
type: journal_article
user_id: '100167'
volume: 25 (24)
year: '2020'
...
---
_id: '44996'
author:
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: M.
  full_name: Thomas, M.
  last_name: Thomas
- first_name: S.
  full_name: Gehrke, S.
  last_name: Gehrke
- first_name: B.
  full_name: Kirchner, B.
  last_name: Kirchner
citation:
  ama: Brehm M, Thomas M, Gehrke S, Kirchner B. TRAVIS – A Free Analyzer for Trajectories
    from Molecular Simulation. <i>J Chem Phys</i>. 2020;152 (16):164105. doi:<a href="https://doi.org/10.1063/5.0005078">10.1063/5.0005078</a>
  apa: Brehm, M., Thomas, M., Gehrke, S., &#38; Kirchner, B. (2020). TRAVIS – A Free
    Analyzer for Trajectories from Molecular Simulation. <i>J. Chem. Phys.</i>, <i>152
    (16)</i>, 164105. <a href="https://doi.org/10.1063/5.0005078">https://doi.org/10.1063/5.0005078</a>
  bibtex: '@article{Brehm_Thomas_Gehrke_Kirchner_2020, title={TRAVIS – A Free Analyzer
    for Trajectories from Molecular Simulation}, volume={152 (16)}, DOI={<a href="https://doi.org/10.1063/5.0005078">10.1063/5.0005078</a>},
    journal={J. Chem. Phys.}, author={Brehm, Martin and Thomas, M. and Gehrke, S.
    and Kirchner, B.}, year={2020}, pages={164105} }'
  chicago: 'Brehm, Martin, M. Thomas, S. Gehrke, and B. Kirchner. “TRAVIS – A Free
    Analyzer for Trajectories from Molecular Simulation.” <i>J. Chem. Phys.</i> 152
    (16) (2020): 164105. <a href="https://doi.org/10.1063/5.0005078">https://doi.org/10.1063/5.0005078</a>.'
  ieee: 'M. Brehm, M. Thomas, S. Gehrke, and B. Kirchner, “TRAVIS – A Free Analyzer
    for Trajectories from Molecular Simulation,” <i>J. Chem. Phys.</i>, vol. 152 (16),
    p. 164105, 2020, doi: <a href="https://doi.org/10.1063/5.0005078">10.1063/5.0005078</a>.'
  mla: Brehm, Martin, et al. “TRAVIS – A Free Analyzer for Trajectories from Molecular
    Simulation.” <i>J. Chem. Phys.</i>, vol. 152 (16), 2020, p. 164105, doi:<a href="https://doi.org/10.1063/5.0005078">10.1063/5.0005078</a>.
  short: M. Brehm, M. Thomas, S. Gehrke, B. Kirchner, J. Chem. Phys. 152 (16) (2020)
    164105.
date_created: 2023-05-16T20:22:03Z
date_updated: 2023-05-16T20:44:41Z
department:
- _id: '803'
doi: 10.1063/5.0005078
extern: '1'
language:
- iso: eng
page: '164105'
publication: J. Chem. Phys.
status: public
title: TRAVIS – A Free Analyzer for Trajectories from Molecular Simulation
type: journal_article
user_id: '100167'
volume: 152 (16)
year: '2020'
...
---
_id: '44992'
author:
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: M.
  full_name: Thomas, M.
  last_name: Thomas
citation:
  ama: Brehm M, Thomas M. Computing Bulk Phase Resonance Raman Spectra from ab initio
    Molecular Dynamics and Real-Time TDDFT. <i>J Chem Theory Comput</i>. 2019;15 (7):3901-3905.
    doi:<a href="https://doi.org/10.1021/acs.jctc.9b00512">10.1021/acs.jctc.9b00512</a>
  apa: Brehm, M., &#38; Thomas, M. (2019). Computing Bulk Phase Resonance Raman Spectra
    from ab initio Molecular Dynamics and Real-Time TDDFT. <i>J. Chem. Theory Comput.</i>,
    <i>15 (7)</i>, 3901–3905. <a href="https://doi.org/10.1021/acs.jctc.9b00512">https://doi.org/10.1021/acs.jctc.9b00512</a>
  bibtex: '@article{Brehm_Thomas_2019, title={Computing Bulk Phase Resonance Raman
    Spectra from ab initio Molecular Dynamics and Real-Time TDDFT}, volume={15 (7)},
    DOI={<a href="https://doi.org/10.1021/acs.jctc.9b00512">10.1021/acs.jctc.9b00512</a>},
    journal={J. Chem. Theory Comput.}, author={Brehm, Martin and Thomas, M.}, year={2019},
    pages={3901–3905} }'
  chicago: 'Brehm, Martin, and M. Thomas. “Computing Bulk Phase Resonance Raman Spectra
    from Ab Initio Molecular Dynamics and Real-Time TDDFT.” <i>J. Chem. Theory Comput.</i>
    15 (7) (2019): 3901–5. <a href="https://doi.org/10.1021/acs.jctc.9b00512">https://doi.org/10.1021/acs.jctc.9b00512</a>.'
  ieee: 'M. Brehm and M. Thomas, “Computing Bulk Phase Resonance Raman Spectra from
    ab initio Molecular Dynamics and Real-Time TDDFT,” <i>J. Chem. Theory Comput.</i>,
    vol. 15 (7), pp. 3901–3905, 2019, doi: <a href="https://doi.org/10.1021/acs.jctc.9b00512">10.1021/acs.jctc.9b00512</a>.'
  mla: Brehm, Martin, and M. Thomas. “Computing Bulk Phase Resonance Raman Spectra
    from Ab Initio Molecular Dynamics and Real-Time TDDFT.” <i>J. Chem. Theory Comput.</i>,
    vol. 15 (7), 2019, pp. 3901–05, doi:<a href="https://doi.org/10.1021/acs.jctc.9b00512">10.1021/acs.jctc.9b00512</a>.
  short: M. Brehm, M. Thomas, J. Chem. Theory Comput. 15 (7) (2019) 3901–3905.
date_created: 2023-05-16T20:22:03Z
date_updated: 2023-05-16T20:44:15Z
department:
- _id: '803'
doi: 10.1021/acs.jctc.9b00512
extern: '1'
language:
- iso: eng
page: 3901-3905
publication: J. Chem. Theory Comput.
status: public
title: Computing Bulk Phase Resonance Raman Spectra from ab initio Molecular Dynamics
  and Real-Time TDDFT
type: journal_article
user_id: '100167'
volume: 15 (7)
year: '2019'
...
---
_id: '44991'
author:
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: M.
  full_name: Pulst, M.
  last_name: Pulst
- first_name: J.
  full_name: Kressler, J.
  last_name: Kressler
- first_name: D.
  full_name: Sebastiani, D.
  last_name: Sebastiani
citation:
  ama: Brehm M, Pulst M, Kressler J, Sebastiani D. Triazolium-Based Ionic Liquids
    – A Novel Class of Cellulose Solvents. <i>J Phys Chem B</i>. 2019;123 (18):3994-4003.
    doi:<a href="https://doi.org/10.1021/acs.jpcb.8b12082">10.1021/acs.jpcb.8b12082</a>
  apa: Brehm, M., Pulst, M., Kressler, J., &#38; Sebastiani, D. (2019). Triazolium-Based
    Ionic Liquids – A Novel Class of Cellulose Solvents. <i>J. Phys. Chem. B</i>,
    <i>123 (18)</i>, 3994–4003. <a href="https://doi.org/10.1021/acs.jpcb.8b12082">https://doi.org/10.1021/acs.jpcb.8b12082</a>
  bibtex: '@article{Brehm_Pulst_Kressler_Sebastiani_2019, title={Triazolium-Based
    Ionic Liquids – A Novel Class of Cellulose Solvents}, volume={123 (18)}, DOI={<a
    href="https://doi.org/10.1021/acs.jpcb.8b12082">10.1021/acs.jpcb.8b12082</a>},
    journal={J. Phys. Chem. B}, author={Brehm, Martin and Pulst, M. and Kressler,
    J. and Sebastiani, D.}, year={2019}, pages={3994–4003} }'
  chicago: 'Brehm, Martin, M. Pulst, J. Kressler, and D. Sebastiani. “Triazolium-Based
    Ionic Liquids – A Novel Class of Cellulose Solvents.” <i>J. Phys. Chem. B</i>
    123 (18) (2019): 3994–4003. <a href="https://doi.org/10.1021/acs.jpcb.8b12082">https://doi.org/10.1021/acs.jpcb.8b12082</a>.'
  ieee: 'M. Brehm, M. Pulst, J. Kressler, and D. Sebastiani, “Triazolium-Based Ionic
    Liquids – A Novel Class of Cellulose Solvents,” <i>J. Phys. Chem. B</i>, vol.
    123 (18), pp. 3994–4003, 2019, doi: <a href="https://doi.org/10.1021/acs.jpcb.8b12082">10.1021/acs.jpcb.8b12082</a>.'
  mla: Brehm, Martin, et al. “Triazolium-Based Ionic Liquids – A Novel Class of Cellulose
    Solvents.” <i>J. Phys. Chem. B</i>, vol. 123 (18), 2019, pp. 3994–4003, doi:<a
    href="https://doi.org/10.1021/acs.jpcb.8b12082">10.1021/acs.jpcb.8b12082</a>.
  short: M. Brehm, M. Pulst, J. Kressler, D. Sebastiani, J. Phys. Chem. B 123 (18)
    (2019) 3994–4003.
date_created: 2023-05-16T20:22:03Z
date_updated: 2023-05-16T20:44:29Z
department:
- _id: '803'
doi: 10.1021/acs.jpcb.8b12082
extern: '1'
language:
- iso: eng
page: 3994-4003
publication: J. Phys. Chem. B
status: public
title: Triazolium-Based Ionic Liquids – A Novel Class of Cellulose Solvents
type: journal_article
user_id: '100167'
volume: 123 (18)
year: '2019'
...
---
_id: '44989'
author:
- first_name: U.
  full_name: Cerajewski, U.
  last_name: Cerajewski
- first_name: J.
  full_name: Träger, J.
  last_name: Träger
- first_name: S.
  full_name: Henkel, S.
  last_name: Henkel
- first_name: A. H.
  full_name: Roos, A. H.
  last_name: Roos
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: D.
  full_name: Hinderberger, D.
  last_name: Hinderberger
citation:
  ama: Cerajewski U, Träger J, Henkel S, Roos AH, Brehm M, Hinderberger D. Nanoscopic
    Structures and Molecular Interactions Leading to a Dystectic and two Eutectic
    Points in [EMIm][Cl] / Urea Mixtures. <i>Phys Chem Chem Phys</i>. 2018;20:29591-29600.
    doi:<a href="https://doi.org/10.1039/C8CP04912B">10.1039/C8CP04912B</a>
  apa: Cerajewski, U., Träger, J., Henkel, S., Roos, A. H., Brehm, M., &#38; Hinderberger,
    D. (2018). Nanoscopic Structures and Molecular Interactions Leading to a Dystectic
    and two Eutectic Points in [EMIm][Cl] / Urea Mixtures. <i>Phys. Chem. Chem. Phys.</i>,
    <i>20</i>, 29591–29600. <a href="https://doi.org/10.1039/C8CP04912B">https://doi.org/10.1039/C8CP04912B</a>
  bibtex: '@article{Cerajewski_Träger_Henkel_Roos_Brehm_Hinderberger_2018, title={Nanoscopic
    Structures and Molecular Interactions Leading to a Dystectic and two Eutectic
    Points in [EMIm][Cl] / Urea Mixtures}, volume={20}, DOI={<a href="https://doi.org/10.1039/C8CP04912B">10.1039/C8CP04912B</a>},
    journal={Phys. Chem. Chem. Phys.}, author={Cerajewski, U. and Träger, J. and Henkel,
    S. and Roos, A. H. and Brehm, Martin and Hinderberger, D.}, year={2018}, pages={29591–29600}
    }'
  chicago: 'Cerajewski, U., J. Träger, S. Henkel, A. H. Roos, Martin Brehm, and D.
    Hinderberger. “Nanoscopic Structures and Molecular Interactions Leading to a Dystectic
    and Two Eutectic Points in [EMIm][Cl] / Urea Mixtures.” <i>Phys. Chem. Chem. Phys.</i>
    20 (2018): 29591–600. <a href="https://doi.org/10.1039/C8CP04912B">https://doi.org/10.1039/C8CP04912B</a>.'
  ieee: 'U. Cerajewski, J. Träger, S. Henkel, A. H. Roos, M. Brehm, and D. Hinderberger,
    “Nanoscopic Structures and Molecular Interactions Leading to a Dystectic and two
    Eutectic Points in [EMIm][Cl] / Urea Mixtures,” <i>Phys. Chem. Chem. Phys.</i>,
    vol. 20, pp. 29591–29600, 2018, doi: <a href="https://doi.org/10.1039/C8CP04912B">10.1039/C8CP04912B</a>.'
  mla: Cerajewski, U., et al. “Nanoscopic Structures and Molecular Interactions Leading
    to a Dystectic and Two Eutectic Points in [EMIm][Cl] / Urea Mixtures.” <i>Phys.
    Chem. Chem. Phys.</i>, vol. 20, 2018, pp. 29591–600, doi:<a href="https://doi.org/10.1039/C8CP04912B">10.1039/C8CP04912B</a>.
  short: U. Cerajewski, J. Träger, S. Henkel, A.H. Roos, M. Brehm, D. Hinderberger,
    Phys. Chem. Chem. Phys. 20 (2018) 29591–29600.
date_created: 2023-05-16T20:22:02Z
date_updated: 2023-05-16T20:44:02Z
department:
- _id: '803'
doi: 10.1039/C8CP04912B
extern: '1'
intvolume: '        20'
language:
- iso: eng
page: 29591-29600
publication: Phys. Chem. Chem. Phys.
status: public
title: Nanoscopic Structures and Molecular Interactions Leading to a Dystectic and
  two Eutectic Points in [EMIm][Cl] / Urea Mixtures
type: journal_article
user_id: '100167'
volume: 20
year: '2018'
...
---
_id: '44986'
author:
- first_name: S.
  full_name: Gehrke, S.
  last_name: Gehrke
- first_name: M.
  full_name: von Domaros, M.
  last_name: von Domaros
- first_name: R.
  full_name: Clark, R.
  last_name: Clark
- first_name: O.
  full_name: Hollóczki, O.
  last_name: Hollóczki
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: T.
  full_name: Welton, T.
  last_name: Welton
- first_name: A.
  full_name: Luzar, A.
  last_name: Luzar
- first_name: B.
  full_name: Kirchner, B.
  last_name: Kirchner
citation:
  ama: Gehrke S, von Domaros M, Clark R, et al. Structure and Lifetimes in Ionic Liquids
    and their Mixtures. <i>Faraday Discuss</i>. 2018;206:219-245. doi:<a href="https://doi.org/10.1039/C7FD00166E">10.1039/C7FD00166E</a>
  apa: Gehrke, S., von Domaros, M., Clark, R., Hollóczki, O., Brehm, M., Welton, T.,
    Luzar, A., &#38; Kirchner, B. (2018). Structure and Lifetimes in Ionic Liquids
    and their Mixtures. <i>Faraday Discuss.</i>, <i>206</i>, 219–245. <a href="https://doi.org/10.1039/C7FD00166E">https://doi.org/10.1039/C7FD00166E</a>
  bibtex: '@article{Gehrke_von Domaros_Clark_Hollóczki_Brehm_Welton_Luzar_Kirchner_2018,
    title={Structure and Lifetimes in Ionic Liquids and their Mixtures}, volume={206},
    DOI={<a href="https://doi.org/10.1039/C7FD00166E">10.1039/C7FD00166E</a>}, journal={Faraday
    Discuss.}, author={Gehrke, S. and von Domaros, M. and Clark, R. and Hollóczki,
    O. and Brehm, Martin and Welton, T. and Luzar, A. and Kirchner, B.}, year={2018},
    pages={219–245} }'
  chicago: 'Gehrke, S., M. von Domaros, R. Clark, O. Hollóczki, Martin Brehm, T. Welton,
    A. Luzar, and B. Kirchner. “Structure and Lifetimes in Ionic Liquids and Their
    Mixtures.” <i>Faraday Discuss.</i> 206 (2018): 219–45. <a href="https://doi.org/10.1039/C7FD00166E">https://doi.org/10.1039/C7FD00166E</a>.'
  ieee: 'S. Gehrke <i>et al.</i>, “Structure and Lifetimes in Ionic Liquids and their
    Mixtures,” <i>Faraday Discuss.</i>, vol. 206, pp. 219–245, 2018, doi: <a href="https://doi.org/10.1039/C7FD00166E">10.1039/C7FD00166E</a>.'
  mla: Gehrke, S., et al. “Structure and Lifetimes in Ionic Liquids and Their Mixtures.”
    <i>Faraday Discuss.</i>, vol. 206, 2018, pp. 219–45, doi:<a href="https://doi.org/10.1039/C7FD00166E">10.1039/C7FD00166E</a>.
  short: S. Gehrke, M. von Domaros, R. Clark, O. Hollóczki, M. Brehm, T. Welton, A.
    Luzar, B. Kirchner, Faraday Discuss. 206 (2018) 219–245.
date_created: 2023-05-16T20:22:02Z
date_updated: 2023-05-16T20:43:47Z
department:
- _id: '803'
doi: 10.1039/C7FD00166E
extern: '1'
intvolume: '       206'
language:
- iso: eng
page: 219-245
publication: Faraday Discuss.
status: public
title: Structure and Lifetimes in Ionic Liquids and their Mixtures
type: journal_article
user_id: '100167'
volume: 206
year: '2018'
...
---
_id: '44988'
author:
- first_name: S.
  full_name: Pylaeva, S.
  last_name: Pylaeva
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: D.
  full_name: Sebastiani, D.
  last_name: Sebastiani
citation:
  ama: 'Pylaeva S, Brehm M, Sebastiani D. Salt Bridge in Aqueous Solution: Strong
    Structural Motifs but Weak Enthalpic Effects. <i>Sci Rep</i>. 2018;8:13626. doi:<a
    href="https://doi.org/10.1038/s41598-018-31935-z">10.1038/s41598-018-31935-z</a>'
  apa: 'Pylaeva, S., Brehm, M., &#38; Sebastiani, D. (2018). Salt Bridge in Aqueous
    Solution: Strong Structural Motifs but Weak Enthalpic Effects. <i>Sci. Rep.</i>,
    <i>8</i>, 13626. <a href="https://doi.org/10.1038/s41598-018-31935-z">https://doi.org/10.1038/s41598-018-31935-z</a>'
  bibtex: '@article{Pylaeva_Brehm_Sebastiani_2018, title={Salt Bridge in Aqueous Solution:
    Strong Structural Motifs but Weak Enthalpic Effects}, volume={8}, DOI={<a href="https://doi.org/10.1038/s41598-018-31935-z">10.1038/s41598-018-31935-z</a>},
    journal={Sci. Rep.}, author={Pylaeva, S. and Brehm, Martin and Sebastiani, D.},
    year={2018}, pages={13626} }'
  chicago: 'Pylaeva, S., Martin Brehm, and D. Sebastiani. “Salt Bridge in Aqueous
    Solution: Strong Structural Motifs but Weak Enthalpic Effects.” <i>Sci. Rep.</i>
    8 (2018): 13626. <a href="https://doi.org/10.1038/s41598-018-31935-z">https://doi.org/10.1038/s41598-018-31935-z</a>.'
  ieee: 'S. Pylaeva, M. Brehm, and D. Sebastiani, “Salt Bridge in Aqueous Solution:
    Strong Structural Motifs but Weak Enthalpic Effects,” <i>Sci. Rep.</i>, vol. 8,
    p. 13626, 2018, doi: <a href="https://doi.org/10.1038/s41598-018-31935-z">10.1038/s41598-018-31935-z</a>.'
  mla: 'Pylaeva, S., et al. “Salt Bridge in Aqueous Solution: Strong Structural Motifs
    but Weak Enthalpic Effects.” <i>Sci. Rep.</i>, vol. 8, 2018, p. 13626, doi:<a
    href="https://doi.org/10.1038/s41598-018-31935-z">10.1038/s41598-018-31935-z</a>.'
  short: S. Pylaeva, M. Brehm, D. Sebastiani, Sci. Rep. 8 (2018) 13626.
date_created: 2023-05-16T20:22:02Z
date_updated: 2023-05-16T20:43:32Z
department:
- _id: '803'
doi: 10.1038/s41598-018-31935-z
extern: '1'
intvolume: '         8'
language:
- iso: eng
page: '13626'
publication: Sci. Rep.
status: public
title: 'Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic
  Effects'
type: journal_article
user_id: '100167'
volume: 8
year: '2018'
...
---
_id: '44990'
author:
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: M.
  full_name: Thomas, M.
  last_name: Thomas
citation:
  ama: Brehm M, Thomas M. An Efficient Lossless Compression Algorithm for Trajectories
    of Atom Positions and Volumetric Data. <i>J Chem Inf Model</i>. 2018;58 (10):2092-2107.
    doi:<a href="https://doi.org/10.1021/acs.jcim.8b00501">10.1021/acs.jcim.8b00501</a>
  apa: Brehm, M., &#38; Thomas, M. (2018). An Efficient Lossless Compression Algorithm
    for Trajectories of Atom Positions and Volumetric Data. <i>J. Chem. Inf. Model.</i>,
    <i>58 (10)</i>, 2092–2107. <a href="https://doi.org/10.1021/acs.jcim.8b00501">https://doi.org/10.1021/acs.jcim.8b00501</a>
  bibtex: '@article{Brehm_Thomas_2018, title={An Efficient Lossless Compression Algorithm
    for Trajectories of Atom Positions and Volumetric Data}, volume={58 (10)}, DOI={<a
    href="https://doi.org/10.1021/acs.jcim.8b00501">10.1021/acs.jcim.8b00501</a>},
    journal={J. Chem. Inf. Model.}, author={Brehm, Martin and Thomas, M.}, year={2018},
    pages={2092–2107} }'
  chicago: 'Brehm, Martin, and M. Thomas. “An Efficient Lossless Compression Algorithm
    for Trajectories of Atom Positions and Volumetric Data.” <i>J. Chem. Inf. Model.</i>
    58 (10) (2018): 2092–2107. <a href="https://doi.org/10.1021/acs.jcim.8b00501">https://doi.org/10.1021/acs.jcim.8b00501</a>.'
  ieee: 'M. Brehm and M. Thomas, “An Efficient Lossless Compression Algorithm for
    Trajectories of Atom Positions and Volumetric Data,” <i>J. Chem. Inf. Model.</i>,
    vol. 58 (10), pp. 2092–2107, 2018, doi: <a href="https://doi.org/10.1021/acs.jcim.8b00501">10.1021/acs.jcim.8b00501</a>.'
  mla: Brehm, Martin, and M. Thomas. “An Efficient Lossless Compression Algorithm
    for Trajectories of Atom Positions and Volumetric Data.” <i>J. Chem. Inf. Model.</i>,
    vol. 58 (10), 2018, pp. 2092–107, doi:<a href="https://doi.org/10.1021/acs.jcim.8b00501">10.1021/acs.jcim.8b00501</a>.
  short: M. Brehm, M. Thomas, J. Chem. Inf. Model. 58 (10) (2018) 2092–2107.
date_created: 2023-05-16T20:22:02Z
date_updated: 2023-05-16T20:43:08Z
department:
- _id: '803'
doi: 10.1021/acs.jcim.8b00501
extern: '1'
language:
- iso: eng
page: 2092-2107
publication: J. Chem. Inf. Model.
status: public
title: An Efficient Lossless Compression Algorithm for Trajectories of Atom Positions
  and Volumetric Data
type: journal_article
user_id: '100167'
volume: 58 (10)
year: '2018'
...
---
_id: '44987'
author:
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: D.
  full_name: Sebastiani, D.
  last_name: Sebastiani
citation:
  ama: Brehm M, Sebastiani D. Simulating Structure and Dynamics in Small Droplets
    of 1-Ethyl-3-Methylimidazolium Acetate. <i>J Chem Phys</i>. 2018;148:193802. doi:<a
    href="https://doi.org/10.1063/1.5010342">10.1063/1.5010342</a>
  apa: Brehm, M., &#38; Sebastiani, D. (2018). Simulating Structure and Dynamics in
    Small Droplets of 1-Ethyl-3-Methylimidazolium Acetate. <i>J. Chem. Phys.</i>,
    <i>148</i>, 193802. <a href="https://doi.org/10.1063/1.5010342">https://doi.org/10.1063/1.5010342</a>
  bibtex: '@article{Brehm_Sebastiani_2018, title={Simulating Structure and Dynamics
    in Small Droplets of 1-Ethyl-3-Methylimidazolium Acetate}, volume={148}, DOI={<a
    href="https://doi.org/10.1063/1.5010342">10.1063/1.5010342</a>}, journal={J. Chem.
    Phys.}, author={Brehm, Martin and Sebastiani, D.}, year={2018}, pages={193802}
    }'
  chicago: 'Brehm, Martin, and D. Sebastiani. “Simulating Structure and Dynamics in
    Small Droplets of 1-Ethyl-3-Methylimidazolium Acetate.” <i>J. Chem. Phys.</i>
    148 (2018): 193802. <a href="https://doi.org/10.1063/1.5010342">https://doi.org/10.1063/1.5010342</a>.'
  ieee: 'M. Brehm and D. Sebastiani, “Simulating Structure and Dynamics in Small Droplets
    of 1-Ethyl-3-Methylimidazolium Acetate,” <i>J. Chem. Phys.</i>, vol. 148, p. 193802,
    2018, doi: <a href="https://doi.org/10.1063/1.5010342">10.1063/1.5010342</a>.'
  mla: Brehm, Martin, and D. Sebastiani. “Simulating Structure and Dynamics in Small
    Droplets of 1-Ethyl-3-Methylimidazolium Acetate.” <i>J. Chem. Phys.</i>, vol.
    148, 2018, p. 193802, doi:<a href="https://doi.org/10.1063/1.5010342">10.1063/1.5010342</a>.
  short: M. Brehm, D. Sebastiani, J. Chem. Phys. 148 (2018) 193802.
date_created: 2023-05-16T20:22:02Z
date_updated: 2023-05-16T20:43:20Z
department:
- _id: '803'
doi: 10.1063/1.5010342
extern: '1'
intvolume: '       148'
language:
- iso: eng
page: '193802'
publication: J. Chem. Phys.
status: public
title: Simulating Structure and Dynamics in Small Droplets of 1-Ethyl-3-Methylimidazolium
  Acetate
type: journal_article
user_id: '100167'
volume: 148
year: '2018'
...
---
_id: '44983'
author:
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: G.
  full_name: Saddiq, G.
  last_name: Saddiq
- first_name: T.
  full_name: Watermann, T.
  last_name: Watermann
- first_name: D.
  full_name: Sebastiani, D.
  last_name: Sebastiani
citation:
  ama: Brehm M, Saddiq G, Watermann T, Sebastiani D. Influence of Small Fluorophilic
    and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine Bilayers. <i>J
    Phys Chem B</i>. 2017;121 (35):8311-8321. doi:<a href="https://doi.org/10.1021/acs.jpcb.7b06520">10.1021/acs.jpcb.7b06520</a>
  apa: Brehm, M., Saddiq, G., Watermann, T., &#38; Sebastiani, D. (2017). Influence
    of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine
    Bilayers. <i>J. Phys. Chem. B</i>, <i>121 (35)</i>, 8311–8321. <a href="https://doi.org/10.1021/acs.jpcb.7b06520">https://doi.org/10.1021/acs.jpcb.7b06520</a>
  bibtex: '@article{Brehm_Saddiq_Watermann_Sebastiani_2017, title={Influence of Small
    Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine
    Bilayers}, volume={121 (35)}, DOI={<a href="https://doi.org/10.1021/acs.jpcb.7b06520">10.1021/acs.jpcb.7b06520</a>},
    journal={J. Phys. Chem. B}, author={Brehm, Martin and Saddiq, G. and Watermann,
    T. and Sebastiani, D.}, year={2017}, pages={8311–8321} }'
  chicago: 'Brehm, Martin, G. Saddiq, T. Watermann, and D. Sebastiani. “Influence
    of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine
    Bilayers.” <i>J. Phys. Chem. B</i> 121 (35) (2017): 8311–21. <a href="https://doi.org/10.1021/acs.jpcb.7b06520">https://doi.org/10.1021/acs.jpcb.7b06520</a>.'
  ieee: 'M. Brehm, G. Saddiq, T. Watermann, and D. Sebastiani, “Influence of Small
    Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine
    Bilayers,” <i>J. Phys. Chem. B</i>, vol. 121 (35), pp. 8311–8321, 2017, doi: <a
    href="https://doi.org/10.1021/acs.jpcb.7b06520">10.1021/acs.jpcb.7b06520</a>.'
  mla: Brehm, Martin, et al. “Influence of Small Fluorophilic and Lipophilic Organic
    Molecules on Dipalmitoylphosphatidylcholine Bilayers.” <i>J. Phys. Chem. B</i>,
    vol. 121 (35), 2017, pp. 8311–21, doi:<a href="https://doi.org/10.1021/acs.jpcb.7b06520">10.1021/acs.jpcb.7b06520</a>.
  short: M. Brehm, G. Saddiq, T. Watermann, D. Sebastiani, J. Phys. Chem. B 121 (35)
    (2017) 8311–8321.
date_created: 2023-05-16T20:22:01Z
date_updated: 2023-05-16T20:41:54Z
department:
- _id: '803'
doi: 10.1021/acs.jpcb.7b06520
extern: '1'
language:
- iso: eng
page: 8311-8321
publication: J. Phys. Chem. B
status: public
title: Influence of Small Fluorophilic and Lipophilic Organic Molecules on Dipalmitoylphosphatidylcholine
  Bilayers
type: journal_article
user_id: '100167'
volume: 121 (35)
year: '2017'
...
---
_id: '44982'
author:
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: M.
  full_name: Thomas, M.
  last_name: Thomas
citation:
  ama: Brehm M, Thomas M. Computing Bulk Phase Raman Optical Activity Spectra from
    ab initio Molecular Dynamics Simulations. <i>J Phys Chem Lett</i>. 2017;8 (14):3409-3414.
    doi:<a href="https://doi.org/10.1021/acs.jpclett.7b01616">10.1021/acs.jpclett.7b01616</a>
  apa: Brehm, M., &#38; Thomas, M. (2017). Computing Bulk Phase Raman Optical Activity
    Spectra from ab initio Molecular Dynamics Simulations. <i>J. Phys. Chem. Lett.</i>,
    <i>8 (14)</i>, 3409–3414. <a href="https://doi.org/10.1021/acs.jpclett.7b01616">https://doi.org/10.1021/acs.jpclett.7b01616</a>
  bibtex: '@article{Brehm_Thomas_2017, title={Computing Bulk Phase Raman Optical Activity
    Spectra from ab initio Molecular Dynamics Simulations}, volume={8 (14)}, DOI={<a
    href="https://doi.org/10.1021/acs.jpclett.7b01616">10.1021/acs.jpclett.7b01616</a>},
    journal={J. Phys. Chem. Lett.}, author={Brehm, Martin and Thomas, M.}, year={2017},
    pages={3409–3414} }'
  chicago: 'Brehm, Martin, and M. Thomas. “Computing Bulk Phase Raman Optical Activity
    Spectra from Ab Initio Molecular Dynamics Simulations.” <i>J. Phys. Chem. Lett.</i>
    8 (14) (2017): 3409–14. <a href="https://doi.org/10.1021/acs.jpclett.7b01616">https://doi.org/10.1021/acs.jpclett.7b01616</a>.'
  ieee: 'M. Brehm and M. Thomas, “Computing Bulk Phase Raman Optical Activity Spectra
    from ab initio Molecular Dynamics Simulations,” <i>J. Phys. Chem. Lett.</i>, vol.
    8 (14), pp. 3409–3414, 2017, doi: <a href="https://doi.org/10.1021/acs.jpclett.7b01616">10.1021/acs.jpclett.7b01616</a>.'
  mla: Brehm, Martin, and M. Thomas. “Computing Bulk Phase Raman Optical Activity
    Spectra from Ab Initio Molecular Dynamics Simulations.” <i>J. Phys. Chem. Lett.</i>,
    vol. 8 (14), 2017, pp. 3409–14, doi:<a href="https://doi.org/10.1021/acs.jpclett.7b01616">10.1021/acs.jpclett.7b01616</a>.
  short: M. Brehm, M. Thomas, J. Phys. Chem. Lett. 8 (14) (2017) 3409–3414.
date_created: 2023-05-16T20:22:01Z
date_updated: 2023-05-16T20:42:17Z
department:
- _id: '803'
doi: 10.1021/acs.jpclett.7b01616
extern: '1'
language:
- iso: eng
page: 3409-3414
publication: J. Phys. Chem. Lett.
status: public
title: Computing Bulk Phase Raman Optical Activity Spectra from ab initio Molecular
  Dynamics Simulations
type: journal_article
user_id: '100167'
volume: 8 (14)
year: '2017'
...
---
_id: '44981'
author:
- first_name: C.
  full_name: Slawik, C.
  last_name: Slawik
- first_name: C.
  full_name: Rickmeyer, C.
  last_name: Rickmeyer
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: A.
  full_name: Böhme, A.
  last_name: Böhme
- first_name: G.
  full_name: Schüürmann, G.
  last_name: Schüürmann
citation:
  ama: Slawik C, Rickmeyer C, Brehm M, Böhme A, Schüürmann G. Glutathione Adduct Patterns
    of Michael-Acceptor Carbonyls. <i>Environ Sci Technol</i>. 2017;51 (7):4018-4026.
    doi:<a href="https://doi.org/10.1021/acs.est.6b04981">10.1021/acs.est.6b04981</a>
  apa: Slawik, C., Rickmeyer, C., Brehm, M., Böhme, A., &#38; Schüürmann, G. (2017).
    Glutathione Adduct Patterns of Michael-Acceptor Carbonyls. <i>Environ. Sci. Technol.</i>,
    <i>51 (7)</i>, 4018–4026. <a href="https://doi.org/10.1021/acs.est.6b04981">https://doi.org/10.1021/acs.est.6b04981</a>
  bibtex: '@article{Slawik_Rickmeyer_Brehm_Böhme_Schüürmann_2017, title={Glutathione
    Adduct Patterns of Michael-Acceptor Carbonyls}, volume={51 (7)}, DOI={<a href="https://doi.org/10.1021/acs.est.6b04981">10.1021/acs.est.6b04981</a>},
    journal={Environ. Sci. Technol.}, author={Slawik, C. and Rickmeyer, C. and Brehm,
    Martin and Böhme, A. and Schüürmann, G.}, year={2017}, pages={4018–4026} }'
  chicago: 'Slawik, C., C. Rickmeyer, Martin Brehm, A. Böhme, and G. Schüürmann. “Glutathione
    Adduct Patterns of Michael-Acceptor Carbonyls.” <i>Environ. Sci. Technol.</i>
    51 (7) (2017): 4018–26. <a href="https://doi.org/10.1021/acs.est.6b04981">https://doi.org/10.1021/acs.est.6b04981</a>.'
  ieee: 'C. Slawik, C. Rickmeyer, M. Brehm, A. Böhme, and G. Schüürmann, “Glutathione
    Adduct Patterns of Michael-Acceptor Carbonyls,” <i>Environ. Sci. Technol.</i>,
    vol. 51 (7), pp. 4018–4026, 2017, doi: <a href="https://doi.org/10.1021/acs.est.6b04981">10.1021/acs.est.6b04981</a>.'
  mla: Slawik, C., et al. “Glutathione Adduct Patterns of Michael-Acceptor Carbonyls.”
    <i>Environ. Sci. Technol.</i>, vol. 51 (7), 2017, pp. 4018–26, doi:<a href="https://doi.org/10.1021/acs.est.6b04981">10.1021/acs.est.6b04981</a>.
  short: C. Slawik, C. Rickmeyer, M. Brehm, A. Böhme, G. Schüürmann, Environ. Sci.
    Technol. 51 (7) (2017) 4018–4026.
date_created: 2023-05-16T20:22:01Z
date_updated: 2023-05-16T20:42:06Z
department:
- _id: '803'
doi: 10.1021/acs.est.6b04981
extern: '1'
language:
- iso: eng
page: 4018-4026
publication: Environ. Sci. Technol.
status: public
title: Glutathione Adduct Patterns of Michael-Acceptor Carbonyls
type: journal_article
user_id: '100167'
volume: 51 (7)
year: '2017'
...
---
_id: '44985'
author:
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: A.
  full_name: Kafka, A.
  last_name: Kafka
- first_name: M.
  full_name: Bamler, M.
  last_name: Bamler
- first_name: R.
  full_name: Kühne, R.
  last_name: Kühne
- first_name: G.
  full_name: Schüürmann, G.
  last_name: Schüürmann
- first_name: L.
  full_name: Sikk, L.
  last_name: Sikk
- first_name: J.
  full_name: Burk, J.
  last_name: Burk
- first_name: P.
  full_name: Burk, P.
  last_name: Burk
- first_name: T.
  full_name: Tamm, T.
  last_name: Tamm
- first_name: K.
  full_name: Tämm, K.
  last_name: Tämm
- first_name: S.
  full_name: Pokhrel, S.
  last_name: Pokhrel
- first_name: L.
  full_name: Mädler, L.
  last_name: Mädler
- first_name: A.
  full_name: Kahru, A.
  last_name: Kahru
- first_name: V.
  full_name: Aruoja, V.
  last_name: Aruoja
- first_name: M.
  full_name: Sihtmäe, M.
  last_name: Sihtmäe
- first_name: J.
  full_name: Scott-Fordsmand, J.
  last_name: Scott-Fordsmand
- first_name: P. B.
  full_name: Sorensen, P. B.
  last_name: Sorensen
- first_name: L.
  full_name: Escorihuela, L.
  last_name: Escorihuela
- first_name: C. P.
  full_name: Roca, C. P.
  last_name: Roca
- first_name: A.
  full_name: Fernández, A.
  last_name: Fernández
- first_name: F.
  full_name: Giralt, F.
  last_name: Giralt
- first_name: R.
  full_name: Rallo, R.
  last_name: Rallo
citation:
  ama: 'Brehm M, Kafka A, Bamler M, et al. An Integrated Data-Driven Strategy for
    Safe-by-Design Nanoparticles: The FP7 MODERN Project. <i>Adv Exp Med Biol</i>.
    2017;947:257-301. doi:<a href="https://doi.org/10.1007/978-3-319-47754-1_9">10.1007/978-3-319-47754-1_9</a>'
  apa: 'Brehm, M., Kafka, A., Bamler, M., Kühne, R., Schüürmann, G., Sikk, L., Burk,
    J., Burk, P., Tamm, T., Tämm, K., Pokhrel, S., Mädler, L., Kahru, A., Aruoja,
    V., Sihtmäe, M., Scott-Fordsmand, J., Sorensen, P. B., Escorihuela, L., Roca,
    C. P., … Rallo, R. (2017). An Integrated Data-Driven Strategy for Safe-by-Design
    Nanoparticles: The FP7 MODERN Project. <i>Adv. Exp. Med. Biol.</i>, <i>947</i>,
    257–301. <a href="https://doi.org/10.1007/978-3-319-47754-1_9">https://doi.org/10.1007/978-3-319-47754-1_9</a>'
  bibtex: '@article{Brehm_Kafka_Bamler_Kühne_Schüürmann_Sikk_Burk_Burk_Tamm_Tämm_et
    al._2017, title={An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles:
    The FP7 MODERN Project.}, volume={947}, DOI={<a href="https://doi.org/10.1007/978-3-319-47754-1_9">10.1007/978-3-319-47754-1_9</a>},
    journal={Adv. Exp. Med. Biol.}, author={Brehm, Martin and Kafka, A. and Bamler,
    M. and Kühne, R. and Schüürmann, G. and Sikk, L. and Burk, J. and Burk, P. and
    Tamm, T. and Tämm, K. and et al.}, year={2017}, pages={257–301} }'
  chicago: 'Brehm, Martin, A. Kafka, M. Bamler, R. Kühne, G. Schüürmann, L. Sikk,
    J. Burk, et al. “An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles:
    The FP7 MODERN Project.” <i>Adv. Exp. Med. Biol.</i> 947 (2017): 257–301. <a href="https://doi.org/10.1007/978-3-319-47754-1_9">https://doi.org/10.1007/978-3-319-47754-1_9</a>.'
  ieee: 'M. Brehm <i>et al.</i>, “An Integrated Data-Driven Strategy for Safe-by-Design
    Nanoparticles: The FP7 MODERN Project.,” <i>Adv. Exp. Med. Biol.</i>, vol. 947,
    pp. 257–301, 2017, doi: <a href="https://doi.org/10.1007/978-3-319-47754-1_9">10.1007/978-3-319-47754-1_9</a>.'
  mla: 'Brehm, Martin, et al. “An Integrated Data-Driven Strategy for Safe-by-Design
    Nanoparticles: The FP7 MODERN Project.” <i>Adv. Exp. Med. Biol.</i>, vol. 947,
    2017, pp. 257–301, doi:<a href="https://doi.org/10.1007/978-3-319-47754-1_9">10.1007/978-3-319-47754-1_9</a>.'
  short: M. Brehm, A. Kafka, M. Bamler, R. Kühne, G. Schüürmann, L. Sikk, J. Burk,
    P. Burk, T. Tamm, K. Tämm, S. Pokhrel, L. Mädler, A. Kahru, V. Aruoja, M. Sihtmäe,
    J. Scott-Fordsmand, P.B. Sorensen, L. Escorihuela, C.P. Roca, A. Fernández, F.
    Giralt, R. Rallo, Adv. Exp. Med. Biol. 947 (2017) 257–301.
date_created: 2023-05-16T20:22:02Z
date_updated: 2023-05-16T20:42:55Z
department:
- _id: '803'
doi: 10.1007/978-3-319-47754-1_9
extern: '1'
intvolume: '       947'
language:
- iso: eng
page: 257-301
publication: Adv. Exp. Med. Biol.
status: public
title: 'An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7
  MODERN Project.'
type: journal_article
user_id: '100167'
volume: 947
year: '2017'
...
---
_id: '45183'
abstract:
- lang: eng
  text: <jats:p>We investigated the effect of fluorinated molecules on dipalmitoylphosphatidylcholine
    (DPPC) bilayers by force-field molecular dynamics simulations. In the first step,
    we developed all-atom force-field parameters for additive molecules in membranes
    to enable an accurate description of those systems. On the basis of this force
    field, we performed extensive simulations of various bilayer systems containing
    different additives. The additive molecules were chosen to be of different size
    and shape, and they included small molecules such as perfluorinated alcohols,
    but also more complex molecules. From these simulations, we investigated the structural
    and dynamic effects of the additives on the membrane properties, as well as the
    behavior of the additive molecules themselves. Our results are in good agreement
    with other theoretical and experimental studies, and they contribute to a microscopic
    understanding of interactions, which might be used to specifically tune membrane
    properties by additives in the future.</jats:p>
article_number: '445'
author:
- first_name: Christopher
  full_name: Peschel, Christopher
  last_name: Peschel
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: Daniel
  full_name: Sebastiani, Daniel
  last_name: Sebastiani
citation:
  ama: Peschel C, Brehm M, Sebastiani D. Polyphilic Interactions as Structural Driving
    Force Investigated by Molecular Dynamics Simulation (Project 7). <i>Polymers</i>.
    2017;9(9). doi:<a href="https://doi.org/10.3390/polym9090445">10.3390/polym9090445</a>
  apa: Peschel, C., Brehm, M., &#38; Sebastiani, D. (2017). Polyphilic Interactions
    as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project
    7). <i>Polymers</i>, <i>9</i>(9), Article 445. <a href="https://doi.org/10.3390/polym9090445">https://doi.org/10.3390/polym9090445</a>
  bibtex: '@article{Peschel_Brehm_Sebastiani_2017, title={Polyphilic Interactions
    as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project
    7)}, volume={9}, DOI={<a href="https://doi.org/10.3390/polym9090445">10.3390/polym9090445</a>},
    number={9445}, journal={Polymers}, publisher={MDPI AG}, author={Peschel, Christopher
    and Brehm, Martin and Sebastiani, Daniel}, year={2017} }'
  chicago: Peschel, Christopher, Martin Brehm, and Daniel Sebastiani. “Polyphilic
    Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation
    (Project 7).” <i>Polymers</i> 9, no. 9 (2017). <a href="https://doi.org/10.3390/polym9090445">https://doi.org/10.3390/polym9090445</a>.
  ieee: 'C. Peschel, M. Brehm, and D. Sebastiani, “Polyphilic Interactions as Structural
    Driving Force Investigated by Molecular Dynamics Simulation (Project 7),” <i>Polymers</i>,
    vol. 9, no. 9, Art. no. 445, 2017, doi: <a href="https://doi.org/10.3390/polym9090445">10.3390/polym9090445</a>.'
  mla: Peschel, Christopher, et al. “Polyphilic Interactions as Structural Driving
    Force Investigated by Molecular Dynamics Simulation (Project 7).” <i>Polymers</i>,
    vol. 9, no. 9, 445, MDPI AG, 2017, doi:<a href="https://doi.org/10.3390/polym9090445">10.3390/polym9090445</a>.
  short: C. Peschel, M. Brehm, D. Sebastiani, Polymers 9 (2017).
date_created: 2023-05-21T15:02:10Z
date_updated: 2023-05-21T15:02:55Z
department:
- _id: '803'
doi: 10.3390/polym9090445
extern: '1'
intvolume: '         9'
issue: '9'
keyword:
- Polymers and Plastics
- General Chemistry
language:
- iso: eng
publication: Polymers
publication_identifier:
  issn:
  - 2073-4360
publication_status: published
publisher: MDPI AG
status: public
title: Polyphilic Interactions as Structural Driving Force Investigated by Molecular
  Dynamics Simulation (Project 7)
type: journal_article
user_id: '100167'
volume: 9
year: '2017'
...
---
_id: '44980'
author:
- first_name: M.
  full_name: Cooper, M.
  last_name: Cooper
- first_name: A.
  full_name: Wagner, A.
  last_name: Wagner
- first_name: D.
  full_name: Wondrousch, D.
  last_name: Wondrousch
- first_name: F.
  full_name: Sonntag, F.
  last_name: Sonntag
- first_name: A.
  full_name: Sonnabend, A.
  last_name: Sonnabend
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: G.
  full_name: Schüürmann, G.
  last_name: Schüürmann
- first_name: L.
  full_name: Adrian, L.
  last_name: Adrian
citation:
  ama: Cooper M, Wagner A, Wondrousch D, et al. Anaerobic Microbial Transformation
    of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling.
    <i>Environ Sci Technol</i>. 2015;49 (10):6018-6028. doi:<a href="https://doi.org/10.1021/acs.est.5b00303">10.1021/acs.est.5b00303</a>
  apa: Cooper, M., Wagner, A., Wondrousch, D., Sonntag, F., Sonnabend, A., Brehm,
    M., Schüürmann, G., &#38; Adrian, L. (2015). Anaerobic Microbial Transformation
    of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling.
    <i>Environ. Sci. Technol.</i>, <i>49 (10)</i>, 6018–6028. <a href="https://doi.org/10.1021/acs.est.5b00303">https://doi.org/10.1021/acs.est.5b00303</a>
  bibtex: '@article{Cooper_Wagner_Wondrousch_Sonntag_Sonnabend_Brehm_Schüürmann_Adrian_2015,
    title={Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction
    Using Electron Density Modeling}, volume={49 (10)}, DOI={<a href="https://doi.org/10.1021/acs.est.5b00303">10.1021/acs.est.5b00303</a>},
    journal={Environ. Sci. Technol.}, author={Cooper, M. and Wagner, A. and Wondrousch,
    D. and Sonntag, F. and Sonnabend, A. and Brehm, Martin and Schüürmann, G. and
    Adrian, L.}, year={2015}, pages={6018–6028} }'
  chicago: 'Cooper, M., A. Wagner, D. Wondrousch, F. Sonntag, A. Sonnabend, Martin
    Brehm, G. Schüürmann, and L. Adrian. “Anaerobic Microbial Transformation of Halogenated
    Aromatics and Fate Prediction Using Electron Density Modeling.” <i>Environ. Sci.
    Technol.</i> 49 (10) (2015): 6018–28. <a href="https://doi.org/10.1021/acs.est.5b00303">https://doi.org/10.1021/acs.est.5b00303</a>.'
  ieee: 'M. Cooper <i>et al.</i>, “Anaerobic Microbial Transformation of Halogenated
    Aromatics and Fate Prediction Using Electron Density Modeling,” <i>Environ. Sci.
    Technol.</i>, vol. 49 (10), pp. 6018–6028, 2015, doi: <a href="https://doi.org/10.1021/acs.est.5b00303">10.1021/acs.est.5b00303</a>.'
  mla: Cooper, M., et al. “Anaerobic Microbial Transformation of Halogenated Aromatics
    and Fate Prediction Using Electron Density Modeling.” <i>Environ. Sci. Technol.</i>,
    vol. 49 (10), 2015, pp. 6018–28, doi:<a href="https://doi.org/10.1021/acs.est.5b00303">10.1021/acs.est.5b00303</a>.
  short: M. Cooper, A. Wagner, D. Wondrousch, F. Sonntag, A. Sonnabend, M. Brehm,
    G. Schüürmann, L. Adrian, Environ. Sci. Technol. 49 (10) (2015) 6018–6028.
date_created: 2023-05-16T20:22:01Z
date_updated: 2023-05-16T20:41:42Z
department:
- _id: '803'
doi: 10.1021/acs.est.5b00303
extern: '1'
language:
- iso: eng
page: 6018-6028
publication: Environ. Sci. Technol.
status: public
title: Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction
  Using Electron Density Modeling
type: journal_article
user_id: '100167'
volume: 49 (10)
year: '2015'
...
---
_id: '44977'
author:
- first_name: O.
  full_name: Hollóczki, O.
  last_name: Hollóczki
- first_name: M.
  full_name: Macchiagodena, M.
  last_name: Macchiagodena
- first_name: H.
  full_name: Weber, H.
  last_name: Weber
- first_name: M.
  full_name: Thomas, M.
  last_name: Thomas
- first_name: Martin
  full_name: Brehm, Martin
  id: '100167'
  last_name: Brehm
- first_name: A.
  full_name: Stark, A.
  last_name: Stark
- first_name: O.
  full_name: Russina, O.
  last_name: Russina
- first_name: A.
  full_name: Triolo, A.
  last_name: Triolo
- first_name: B.
  full_name: Kirchner, B.
  last_name: Kirchner
citation:
  ama: 'Hollóczki O, Macchiagodena M, Weber H, et al. Triphilic Ionic-Liquid Mixtures:
    Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures. <i>ChemPhysChem</i>.
    2015;16 (15):3325-3333. doi:<a href="https://doi.org/10.1002/cphc.201500473">10.1002/cphc.201500473</a>'
  apa: 'Hollóczki, O., Macchiagodena, M., Weber, H., Thomas, M., Brehm, M., Stark,
    A., Russina, O., Triolo, A., &#38; Kirchner, B. (2015). Triphilic Ionic-Liquid
    Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures. <i>ChemPhysChem</i>,
    <i>16 (15)</i>, 3325–3333. <a href="https://doi.org/10.1002/cphc.201500473">https://doi.org/10.1002/cphc.201500473</a>'
  bibtex: '@article{Hollóczki_Macchiagodena_Weber_Thomas_Brehm_Stark_Russina_Triolo_Kirchner_2015,
    title={Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic
    Ionic-Liquid Mixtures}, volume={16 (15)}, DOI={<a href="https://doi.org/10.1002/cphc.201500473">10.1002/cphc.201500473</a>},
    journal={ChemPhysChem}, author={Hollóczki, O. and Macchiagodena, M. and Weber,
    H. and Thomas, M. and Brehm, Martin and Stark, A. and Russina, O. and Triolo,
    A. and Kirchner, B.}, year={2015}, pages={3325–3333} }'
  chicago: 'Hollóczki, O., M. Macchiagodena, H. Weber, M. Thomas, Martin Brehm, A.
    Stark, O. Russina, A. Triolo, and B. Kirchner. “Triphilic Ionic-Liquid Mixtures:
    Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures.” <i>ChemPhysChem</i>
    16 (15) (2015): 3325–33. <a href="https://doi.org/10.1002/cphc.201500473">https://doi.org/10.1002/cphc.201500473</a>.'
  ieee: 'O. Hollóczki <i>et al.</i>, “Triphilic Ionic-Liquid Mixtures: Fluorinated
    and Non-Fluorinated Aprotic Ionic-Liquid Mixtures,” <i>ChemPhysChem</i>, vol.
    16 (15), pp. 3325–3333, 2015, doi: <a href="https://doi.org/10.1002/cphc.201500473">10.1002/cphc.201500473</a>.'
  mla: 'Hollóczki, O., et al. “Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated
    Aprotic Ionic-Liquid Mixtures.” <i>ChemPhysChem</i>, vol. 16 (15), 2015, pp. 3325–33,
    doi:<a href="https://doi.org/10.1002/cphc.201500473">10.1002/cphc.201500473</a>.'
  short: O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark,
    O. Russina, A. Triolo, B. Kirchner, ChemPhysChem 16 (15) (2015) 3325–3333.
date_created: 2023-05-16T20:22:01Z
date_updated: 2023-05-16T20:41:28Z
department:
- _id: '803'
doi: 10.1002/cphc.201500473
extern: '1'
language:
- iso: eng
page: 3325-3333
publication: ChemPhysChem
status: public
title: 'Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid
  Mixtures'
type: journal_article
user_id: '100167'
volume: 16 (15)
year: '2015'
...