---
_id: '24236'
abstract:
- lang: eng
text: In diesem Artikel werden das Scherzugverhalten und der morphologische Zustand
von konturgeschweißtem Polypropylen (PP) mit einem Massenanteil von 0,2% Ruß untersucht.
Dabei zeigen die Ergebnisse ...
article_type: original
author:
- first_name: Volker
full_name: Schöppner, Volker
id: '20530'
last_name: Schöppner
- first_name: Andrea
full_name: Wübbeke, Andrea
id: '12504'
last_name: Wübbeke
- first_name: 'Fabian '
full_name: 'Schriegel, Fabian '
last_name: Schriegel
- first_name: 'Andrej '
full_name: 'Paul, Andrej '
last_name: Paul
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: 'Bastian '
full_name: 'Geißler, Bastian '
last_name: Geißler
- first_name: 'Michael '
full_name: 'Schmidt, Michael '
last_name: Schmidt
- first_name: 'Arnaud '
full_name: 'Magnier, Arnaud '
last_name: Magnier
- first_name: 'Thomas '
full_name: 'Niendorf, Thomas '
last_name: Niendorf
citation:
ama: Schöppner V, Wübbeke A, Schriegel F, et al. Selected Aspects for the Assessment
of Laser Transmission Welding. Joining Plastics. Published online 2020:30-35.
apa: Schöppner, V., Wübbeke, A., Schriegel, F., Paul, A., Tiemann, M., Geißler,
B., Schmidt, M., Magnier, A., & Niendorf, T. (2020). Selected Aspects for
the Assessment of Laser Transmission Welding. Joining Plastics, 30–35.
bibtex: '@article{Schöppner_Wübbeke_Schriegel_Paul_Tiemann_Geißler_Schmidt_Magnier_Niendorf_2020,
title={Selected Aspects for the Assessment of Laser Transmission Welding}, journal={Joining
Plastics}, author={Schöppner, Volker and Wübbeke, Andrea and Schriegel, Fabian and
Paul, Andrej and Tiemann, Michael and Geißler, Bastian and Schmidt, Michael and
Magnier, Arnaud and Niendorf, Thomas }, year={2020}, pages={30–35} }'
chicago: Schöppner, Volker, Andrea Wübbeke, Fabian Schriegel, Andrej Paul, Michael
Tiemann, Bastian Geißler, Michael Schmidt, Arnaud Magnier, and Thomas Niendorf.
“Selected Aspects for the Assessment of Laser Transmission Welding.” Joining
Plastics, 2020, 30–35.
ieee: V. Schöppner et al., “Selected Aspects for the Assessment of Laser
Transmission Welding,” Joining Plastics, pp. 30–35, 2020.
mla: Schöppner, Volker, et al. “Selected Aspects for the Assessment of Laser Transmission
Welding.” Joining Plastics, 2020, pp. 30–35.
short: V. Schöppner, A. Wübbeke, F. Schriegel, A. Paul, M. Tiemann, B. Geißler,
M. Schmidt, A. Magnier, T. Niendorf, Joining Plastics (2020) 30–35.
date_created: 2021-09-13T08:43:53Z
date_updated: 2023-05-05T10:03:45Z
department:
- _id: '9'
- _id: '367'
- _id: '321'
- _id: '35'
- _id: '307'
- _id: '2'
language:
- iso: eng
page: 30-35
publication: Joining Plastics
quality_controlled: '1'
status: public
title: Selected Aspects for the Assessment of Laser Transmission Welding
type: journal_article
user_id: '14931'
year: '2020'
...
---
_id: '44995'
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. Exploring Non-Equilibrium Molecular
Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer and Microsecond
Scale. J Chem Phys. 2020;152 (16):164110. doi:10.1063/5.0002167
apa: Dreßler, C., Kabbe, G., Brehm, M., & Sebastiani, D. (2020). Exploring Non-Equilibrium
Molecular Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer
and Microsecond Scale. J. Chem. Phys., 152 (16), 164110. https://doi.org/10.1063/5.0002167
bibtex: '@article{Dreßler_Kabbe_Brehm_Sebastiani_2020, title={Exploring Non-Equilibrium
Molecular Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer
and Microsecond Scale}, volume={152 (16)}, DOI={10.1063/5.0002167},
journal={J. Chem. Phys.}, author={Dreßler, C. and Kabbe, G. and Brehm, Martin
and Sebastiani, D.}, year={2020}, pages={164110} }'
chicago: 'Dreßler, C., G. Kabbe, Martin Brehm, and D. Sebastiani. “Exploring Non-Equilibrium
Molecular Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer
and Microsecond Scale.” J. Chem. Phys. 152 (16) (2020): 164110. https://doi.org/10.1063/5.0002167.'
ieee: 'C. Dreßler, G. Kabbe, M. Brehm, and D. Sebastiani, “Exploring Non-Equilibrium
Molecular Dynamics of Mobile Protons in the Solid Acid CsH2PO4 on the Micrometer
and Microsecond Scale,” J. Chem. Phys., vol. 152 (16), p. 164110, 2020,
doi: 10.1063/5.0002167.'
mla: Dreßler, C., et al. “Exploring Non-Equilibrium Molecular Dynamics of Mobile
Protons in the Solid Acid CsH2PO4 on the Micrometer and Microsecond Scale.” J.
Chem. Phys., vol. 152 (16), 2020, p. 164110, doi:10.1063/5.0002167.
short: C. Dreßler, G. Kabbe, M. Brehm, D. Sebastiani, J. Chem. Phys. 152 (16) (2020)
164110.
date_created: 2023-05-16T20:22:03Z
date_updated: 2023-05-16T20:45:56Z
department:
- _id: '803'
doi: 10.1063/5.0002167
extern: '1'
language:
- iso: eng
page: '164110'
publication: J. Chem. Phys.
status: public
title: Exploring Non-Equilibrium Molecular Dynamics of Mobile Protons in the Solid
Acid CsH2PO4 on the Micrometer and Microsecond Scale
type: journal_article
user_id: '100167'
volume: 152 (16)
year: '2020'
...
---
_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. Molecules. 2020;25 (15):3539. doi:10.3390/molecules25153539
apa: Brehm, M., Radicke, J., Pulst, M., Shaabani, F., Sebastiani, D., & Kressler,
J. (2020). Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based Ionic
Liquids with Aromatic Anions. Molecules, 25 (15), 3539. https://doi.org/10.3390/molecules25153539
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={10.3390/molecules25153539},
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.” Molecules 25 (15) (2020): 3539. https://doi.org/10.3390/molecules25153539.'
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,” Molecules, vol. 25 (15), p. 3539, 2020, doi: 10.3390/molecules25153539.'
mla: Brehm, Martin, et al. “Dissolving Cellulose in 1,2,3-Triazolium- and Imidazolium-Based
Ionic Liquids with Aromatic Anions.” Molecules, vol. 25 (15), 2020, p.
3539, doi:10.3390/molecules25153539.
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. J
Phys Chem B. 2020;124 (39):8601-8609. doi:10.1021/acs.jpcb.0c04863
apa: Hunold, J., Eisermann, J., Brehm, M., & Hinderberger, D. (2020). Characterization
of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in
Water. J. Phys. Chem. B, 124 (39), 8601–8609. https://doi.org/10.1021/acs.jpcb.0c04863
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={10.1021/acs.jpcb.0c04863},
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.” J. Phys. Chem. B 124 (39) (2020): 8601–9. https://doi.org/10.1021/acs.jpcb.0c04863.'
ieee: 'J. Hunold, J. Eisermann, M. Brehm, and D. Hinderberger, “Characterization
of Aqueous Lower Polarity Solvation Shells Around Amphiphilic TEMPO Radicals in
Water,” J. Phys. Chem. B, vol. 124 (39), pp. 8601–8609, 2020, doi: 10.1021/acs.jpcb.0c04863.'
mla: Hunold, J., et al. “Characterization of Aqueous Lower Polarity Solvation Shells
Around Amphiphilic TEMPO Radicals in Water.” J. Phys. Chem. B, vol. 124
(39), 2020, pp. 8601–09, doi:10.1021/acs.jpcb.0c04863.
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. Nanoscale.
2020;12:3834-3845. doi:10.1039/C9NR06592J'
apa: 'Scarbath-Evers, L., Hammer, R., Golze, D., Brehm, M., Sebastiani, D., &
Widdra, W. (2020). From Flat to Tilted: Gradual Interfaces in Organic Thin Film
Growth. Nanoscale, 12, 3834–3845. https://doi.org/10.1039/C9NR06592J'
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={10.1039/C9NR06592J}, 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.”
Nanoscale 12 (2020): 3834–45. https://doi.org/10.1039/C9NR06592J.'
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,” Nanoscale,
vol. 12, pp. 3834–3845, 2020, doi: 10.1039/C9NR06592J.'
mla: 'Scarbath-Evers, L., et al. “From Flat to Tilted: Gradual Interfaces in Organic
Thin Film Growth.” Nanoscale, vol. 12, 2020, pp. 3834–45, doi:10.1039/C9NR06592J.'
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. J Chem Phys. 2020;152 (11):114114.
doi:10.1063/1.5140635
apa: Dreßler, C., Kabbe, G., Brehm, M., & Sebastiani, D. (2020). Dynamical Matrix
Propagator Scheme for Large-Scale Proton Dynamics Simulations. J. Chem. Phys.,
152 (11), 114114. https://doi.org/10.1063/1.5140635
bibtex: '@article{Dreßler_Kabbe_Brehm_Sebastiani_2020, title={Dynamical Matrix Propagator
Scheme for Large-Scale Proton Dynamics Simulations}, volume={152 (11)}, DOI={10.1063/1.5140635}, 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.” J. Chem. Phys.
152 (11) (2020): 114114. https://doi.org/10.1063/1.5140635.'
ieee: 'C. Dreßler, G. Kabbe, M. Brehm, and D. Sebastiani, “Dynamical Matrix Propagator
Scheme for Large-Scale Proton Dynamics Simulations,” J. Chem. Phys., vol.
152 (11), p. 114114, 2020, doi: 10.1063/1.5140635.'
mla: Dreßler, C., et al. “Dynamical Matrix Propagator Scheme for Large-Scale Proton
Dynamics Simulations.” J. Chem. Phys., vol. 152 (11), 2020, p. 114114,
doi:10.1063/1.5140635.
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. Molecules. 2020;25 (24):5861.
doi:10.3390/molecules25245861
apa: Weiß, M., & Brehm, M. (2020). Exploring Free Energy Profiles of Enantioselective
Organocatalytic Aldol Reactions under Full Solvent Influence. Molecules,
25 (24), 5861. https://doi.org/10.3390/molecules25245861
bibtex: '@article{Weiß_Brehm_2020, title={Exploring Free Energy Profiles of Enantioselective
Organocatalytic Aldol Reactions under Full Solvent Influence}, volume={25 (24)},
DOI={10.3390/molecules25245861},
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.” Molecules
25 (24) (2020): 5861. https://doi.org/10.3390/molecules25245861.'
ieee: 'M. Weiß and M. Brehm, “Exploring Free Energy Profiles of Enantioselective
Organocatalytic Aldol Reactions under Full Solvent Influence,” Molecules,
vol. 25 (24), p. 5861, 2020, doi: 10.3390/molecules25245861.'
mla: Weiß, M., and Martin Brehm. “Exploring Free Energy Profiles of Enantioselective
Organocatalytic Aldol Reactions under Full Solvent Influence.” Molecules,
vol. 25 (24), 2020, p. 5861, doi:10.3390/molecules25245861.
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. J Chem Phys. 2020;152 (16):164105. doi:10.1063/5.0005078
apa: Brehm, M., Thomas, M., Gehrke, S., & Kirchner, B. (2020). TRAVIS – A Free
Analyzer for Trajectories from Molecular Simulation. J. Chem. Phys., 152
(16), 164105. https://doi.org/10.1063/5.0005078
bibtex: '@article{Brehm_Thomas_Gehrke_Kirchner_2020, title={TRAVIS – A Free Analyzer
for Trajectories from Molecular Simulation}, volume={152 (16)}, DOI={10.1063/5.0005078},
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.” J. Chem. Phys. 152
(16) (2020): 164105. https://doi.org/10.1063/5.0005078.'
ieee: 'M. Brehm, M. Thomas, S. Gehrke, and B. Kirchner, “TRAVIS – A Free Analyzer
for Trajectories from Molecular Simulation,” J. Chem. Phys., vol. 152 (16),
p. 164105, 2020, doi: 10.1063/5.0005078.'
mla: Brehm, Martin, et al. “TRAVIS – A Free Analyzer for Trajectories from Molecular
Simulation.” J. Chem. Phys., vol. 152 (16), 2020, p. 164105, doi:10.1063/5.0005078.
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: '24100'
abstract:
- lang: eng
text: Zinc oxide (ZnO) hollow spheres with defined morphology and micro-/nanostructure
are prepared by a hydrothermal synthesis approach. The materials possess fine-leaved
structures at their particle surface (nanowall hollow micro spheres). Morphology
control is achieved by citric acid used as an additive in variable relative quantities
during the synthesis. The structure formation is studied by various time-dependent
ex situ methods, such as scanning electron microscopy, x-ray diffraction, and
Raman spectroscopy. The fine-leaved surface structure is characterized by high-resolution
transmission electron microscopy techniques (HRTEM, STEM), using a high-angle
annular dark field detector, as well as by differential phase contrast analysis.
In-depth structural characterization of the nanowalls by drop-by-drop ex situ
FE-SEM analysis provides insight into possible structure formation mechanisms.
Further investigation addresses the thermal stability of the particle morphology
and the enhancement of the surface-to-volume ratio by heat treatment (examined
by N2 physisorption).
article_type: original
author:
- first_name: Katja
full_name: Engelkemeier, Katja
id: '21743'
last_name: Engelkemeier
- first_name: Jörg
full_name: Lindner, Jörg
id: '20797'
last_name: Lindner
- first_name: Julius
full_name: Bürger, Julius
id: '46952'
last_name: Bürger
- first_name: Kathrin
full_name: Vaupel, Kathrin
last_name: Vaupel
- first_name: Marc
full_name: Hartmann, Marc
last_name: Hartmann
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Kay-Peter
full_name: Hoyer, Kay-Peter
id: '48411'
last_name: Hoyer
- first_name: Mirko
full_name: Schaper, Mirko
id: '43720'
last_name: Schaper
citation:
ama: Engelkemeier K, Lindner J, Bürger J, et al. Nano-architectural complexity of
zinc oxide nanowall hollow microspheres and their structural properties. Nanotechnology.
2020;31:095701. doi:10.1088/1361-6528/ab55bc
apa: Engelkemeier, K., Lindner, J., Bürger, J., Vaupel, K., Hartmann, M., Tiemann,
M., Hoyer, K.-P., & Schaper, M. (2020). Nano-architectural complexity of zinc
oxide nanowall hollow microspheres and their structural properties. Nanotechnology,
31, 095701. https://doi.org/10.1088/1361-6528/ab55bc
bibtex: '@article{Engelkemeier_Lindner_Bürger_Vaupel_Hartmann_Tiemann_Hoyer_Schaper_2020,
title={Nano-architectural complexity of zinc oxide nanowall hollow microspheres
and their structural properties}, volume={31}, DOI={10.1088/1361-6528/ab55bc},
journal={Nanotechnology}, author={Engelkemeier, Katja and Lindner, Jörg and Bürger,
Julius and Vaupel, Kathrin and Hartmann, Marc and Tiemann, Michael and Hoyer,
Kay-Peter and Schaper, Mirko}, year={2020}, pages={095701} }'
chicago: 'Engelkemeier, Katja, Jörg Lindner, Julius Bürger, Kathrin Vaupel, Marc
Hartmann, Michael Tiemann, Kay-Peter Hoyer, and Mirko Schaper. “Nano-Architectural
Complexity of Zinc Oxide Nanowall Hollow Microspheres and Their Structural Properties.”
Nanotechnology 31 (2020): 095701. https://doi.org/10.1088/1361-6528/ab55bc.'
ieee: 'K. Engelkemeier et al., “Nano-architectural complexity of zinc oxide
nanowall hollow microspheres and their structural properties,” Nanotechnology,
vol. 31, p. 095701, 2020, doi: 10.1088/1361-6528/ab55bc.'
mla: Engelkemeier, Katja, et al. “Nano-Architectural Complexity of Zinc Oxide Nanowall
Hollow Microspheres and Their Structural Properties.” Nanotechnology, vol.
31, 2020, p. 095701, doi:10.1088/1361-6528/ab55bc.
short: K. Engelkemeier, J. Lindner, J. Bürger, K. Vaupel, M. Hartmann, M. Tiemann,
K.-P. Hoyer, M. Schaper, Nanotechnology 31 (2020) 095701.
date_created: 2021-09-10T06:49:55Z
date_updated: 2023-06-01T14:29:58Z
department:
- _id: '9'
- _id: '158'
- _id: '301'
- _id: '286'
- _id: '35'
- _id: '307'
- _id: '2'
doi: 10.1088/1361-6528/ab55bc
intvolume: ' 31'
language:
- iso: eng
page: '095701'
publication: Nanotechnology
publication_identifier:
issn:
- 0957-4484
- 1361-6528
publication_status: published
quality_controlled: '1'
status: public
title: Nano-architectural complexity of zinc oxide nanowall hollow microspheres and
their structural properties
type: journal_article
user_id: '43720'
volume: 31
year: '2020'
...
---
_id: '16277'
abstract:
- lang: eng
text: CP2K is an open source electronic structure and molecular dynamics software
package to perform atomistic simulations of solid-state, liquid, molecular, and
biological systems. It is especially aimed at massively parallel and linear-scaling
electronic structure methods and state-of-theart ab initio molecular dynamics
simulations. Excellent performance for electronic structure calculations is achieved
using novel algorithms implemented for modern high-performance computing systems.
This review revisits the main capabilities of CP2K to perform efficient and accurate
electronic structure simulations. The emphasis is put on density functional theory
and multiple post–Hartree–Fock methods using the Gaussian and plane wave approach
and its augmented all-electron extension.
article_number: '194103'
author:
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Marcella
full_name: Iannuzzi, Marcella
last_name: Iannuzzi
- first_name: Mauro Del
full_name: Ben, Mauro Del
last_name: Ben
- first_name: Vladimir V.
full_name: Rybkin, Vladimir V.
last_name: Rybkin
- first_name: Patrick
full_name: Seewald, Patrick
last_name: Seewald
- first_name: Frederick
full_name: Stein, Frederick
last_name: Stein
- first_name: Teodoro
full_name: Laino, Teodoro
last_name: Laino
- first_name: Rustam Z.
full_name: Khaliullin, Rustam Z.
last_name: Khaliullin
- first_name: Ole
full_name: Schütt, Ole
last_name: Schütt
- first_name: Florian
full_name: Schiffmann, Florian
last_name: Schiffmann
- first_name: Dorothea
full_name: Golze, Dorothea
last_name: Golze
- first_name: Jan
full_name: Wilhelm, Jan
last_name: Wilhelm
- first_name: Sergey
full_name: Chulkov, Sergey
last_name: Chulkov
- first_name: Mohammad Hossein Bani-Hashemian
full_name: Mohammad Hossein Bani-Hashemian, Mohammad Hossein Bani-Hashemian
last_name: Mohammad Hossein Bani-Hashemian
- first_name: Valéry
full_name: Weber, Valéry
last_name: Weber
- first_name: Urban
full_name: Borstnik, Urban
last_name: Borstnik
- first_name: Mathieu
full_name: Taillefumier, Mathieu
last_name: Taillefumier
- first_name: Alice Shoshana
full_name: Jakobovits, Alice Shoshana
last_name: Jakobovits
- first_name: Alfio
full_name: Lazzaro, Alfio
last_name: Lazzaro
- first_name: Hans
full_name: Pabst, Hans
last_name: Pabst
- first_name: Tiziano
full_name: Müller, Tiziano
last_name: Müller
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Manuel
full_name: Guidon, Manuel
last_name: Guidon
- first_name: Samuel
full_name: Andermatt, Samuel
last_name: Andermatt
- first_name: Nico
full_name: Holmberg, Nico
last_name: Holmberg
- first_name: Gregory K.
full_name: Schenter, Gregory K.
last_name: Schenter
- first_name: Anna
full_name: Hehn, Anna
last_name: Hehn
- first_name: Augustin
full_name: Bussy, Augustin
last_name: Bussy
- first_name: Fabian
full_name: Belleflamme, Fabian
last_name: Belleflamme
- first_name: Gloria
full_name: Tabacchi, Gloria
last_name: Tabacchi
- first_name: Andreas
full_name: Glöß, Andreas
last_name: Glöß
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Iain
full_name: Bethune, Iain
last_name: Bethune
- first_name: Christopher J.
full_name: Mundy, Christopher J.
last_name: Mundy
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Matt
full_name: Watkins, Matt
last_name: Watkins
- first_name: Joost
full_name: VandeVondele, Joost
last_name: VandeVondele
- first_name: Matthias
full_name: Krack, Matthias
last_name: Krack
- first_name: Jürg
full_name: Hutter, Jürg
last_name: Hutter
citation:
ama: 'Kühne T, Iannuzzi M, Ben MD, et al. CP2K: An electronic structure and molecular
dynamics software package - Quickstep: Efficient and accurate electronic structure
calculations. The Journal of Chemical Physics. 2020;152(19). doi:10.1063/5.0007045'
apa: 'Kühne, T., Iannuzzi, M., Ben, M. D., Rybkin, V. V., Seewald, P., Stein, F.,
Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., Golze, D., Wilhelm,
J., Chulkov, S., Mohammad Hossein Bani-Hashemian, M. H. B.-H., Weber, V., Borstnik,
U., Taillefumier, M., Jakobovits, A. S., Lazzaro, A., … Hutter, J. (2020). CP2K:
An electronic structure and molecular dynamics software package - Quickstep: Efficient
and accurate electronic structure calculations. The Journal of Chemical Physics,
152(19), Article 194103. https://doi.org/10.1063/5.0007045'
bibtex: '@article{Kühne_Iannuzzi_Ben_Rybkin_Seewald_Stein_Laino_Khaliullin_Schütt_Schiffmann_et
al._2020, title={CP2K: An electronic structure and molecular dynamics software
package - Quickstep: Efficient and accurate electronic structure calculations},
volume={152}, DOI={10.1063/5.0007045},
number={19194103}, journal={The Journal of Chemical Physics}, author={Kühne, Thomas
and Iannuzzi, Marcella and Ben, Mauro Del and Rybkin, Vladimir V. and Seewald,
Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin, Rustam Z. and
Schütt, Ole and Schiffmann, Florian and et al.}, year={2020} }'
chicago: 'Kühne, Thomas, Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick
Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure
and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic
Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020).
https://doi.org/10.1063/5.0007045.'
ieee: 'T. Kühne et al., “CP2K: An electronic structure and molecular dynamics
software package - Quickstep: Efficient and accurate electronic structure calculations,”
The Journal of Chemical Physics, vol. 152, no. 19, Art. no. 194103, 2020,
doi: 10.1063/5.0007045.'
mla: 'Kühne, Thomas, et al. “CP2K: An Electronic Structure and Molecular Dynamics
Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.”
The Journal of Chemical Physics, vol. 152, no. 19, 194103, 2020, doi:10.1063/5.0007045.'
short: T. Kühne, M. Iannuzzi, M.D. Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino,
R.Z. Khaliullin, O. Schütt, F. Schiffmann, D. Golze, J. Wilhelm, S. Chulkov, M.H.B.-H.
Mohammad Hossein Bani-Hashemian, V. Weber, U. Borstnik, M. Taillefumier, A.S.
Jakobovits, A. Lazzaro, H. Pabst, T. Müller, R. Schade, M. Guidon, S. Andermatt,
N. Holmberg, G.K. Schenter, A. Hehn, A. Bussy, F. Belleflamme, G. Tabacchi, A.
Glöß, M. Lass, I. Bethune, C.J. Mundy, C. Plessl, M. Watkins, J. VandeVondele,
M. Krack, J. Hutter, The Journal of Chemical Physics 152 (2020).
date_created: 2020-03-10T15:12:31Z
date_updated: 2023-08-02T14:56:21Z
ddc:
- '540'
department:
- _id: '27'
- _id: '518'
- _id: '304'
doi: 10.1063/5.0007045
external_id:
arxiv:
- '2003.03868'
file:
- access_level: closed
content_type: application/pdf
creator: lass
date_created: 2020-05-25T15:21:56Z
date_updated: 2020-05-25T15:21:56Z
file_id: '17061'
file_name: 5.0007045.pdf
file_size: 4887650
relation: main_file
success: 1
file_date_updated: 2020-05-25T15:21:56Z
has_accepted_license: '1'
intvolume: ' 152'
issue: '19'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://aip.scitation.org/doi/pdf/10.1063/5.0007045?download=true
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '32'
grant_number: PL 595/2-1 / 320898746
name: Performance and Efficiency in HPC with Custom Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: The Journal of Chemical Physics
publication_status: published
quality_controlled: '1'
status: public
title: 'CP2K: An electronic structure and molecular dynamics software package - Quickstep:
Efficient and accurate electronic structure calculations'
type: journal_article
user_id: '75963'
volume: 152
year: '2020'
...
---
_id: '16898'
abstract:
- lang: eng
text: "Electronic structure calculations based on density-functional theory (DFT)\r\nrepresent
a significant part of today's HPC workloads and pose high demands on\r\nhigh-performance
computing resources. To perform these quantum-mechanical DFT\r\ncalculations on
complex large-scale systems, so-called linear scaling methods\r\ninstead of conventional
cubic scaling methods are required. In this work, we\r\ntake up the idea of the
submatrix method and apply it to the DFT computations\r\nin the software package
CP2K. For that purpose, we transform the underlying\r\nnumeric operations on distributed,
large, sparse matrices into computations on\r\nlocal, much smaller and nearly
dense matrices. This allows us to exploit the\r\nfull floating-point performance
of modern CPUs and to make use of dedicated\r\naccelerator hardware, where performance
has been limited by memory bandwidth\r\nbefore. We demonstrate both functionality
and performance of our implementation\r\nand show how it can be accelerated with
GPUs and FPGAs."
author:
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Robert
full_name: Schade, Robert
id: '75963'
last_name: Schade
orcid: 0000-0002-6268-539
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: 'Lass M, Schade R, Kühne T, Plessl C. A Submatrix-Based Method for Approximate
Matrix Function Evaluation in the Quantum Chemistry Code CP2K. In: Proc. International
Conference for High Performance Computing, Networking, Storage and Analysis (SC).
IEEE Computer Society; 2020:1127-1140. doi:10.1109/SC41405.2020.00084'
apa: Lass, M., Schade, R., Kühne, T., & Plessl, C. (2020). A Submatrix-Based
Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code
CP2K. Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC), 1127–1140. https://doi.org/10.1109/SC41405.2020.00084
bibtex: '@inproceedings{Lass_Schade_Kühne_Plessl_2020, place={Los Alamitos, CA,
USA}, title={A Submatrix-Based Method for Approximate Matrix Function Evaluation
in the Quantum Chemistry Code CP2K}, DOI={10.1109/SC41405.2020.00084},
booktitle={Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC)}, publisher={IEEE Computer Society}, author={Lass, Michael
and Schade, Robert and Kühne, Thomas and Plessl, Christian}, year={2020}, pages={1127–1140}
}'
chicago: 'Lass, Michael, Robert Schade, Thomas Kühne, and Christian Plessl. “A Submatrix-Based
Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code
CP2K.” In Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC), 1127–40. Los Alamitos, CA, USA: IEEE Computer Society,
2020. https://doi.org/10.1109/SC41405.2020.00084.'
ieee: 'M. Lass, R. Schade, T. Kühne, and C. Plessl, “A Submatrix-Based Method for
Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K,” in
Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC), Atlanta, GA, US, 2020, pp. 1127–1140, doi: 10.1109/SC41405.2020.00084.'
mla: Lass, Michael, et al. “A Submatrix-Based Method for Approximate Matrix Function
Evaluation in the Quantum Chemistry Code CP2K.” Proc. International Conference
for High Performance Computing, Networking, Storage and Analysis (SC), IEEE
Computer Society, 2020, pp. 1127–40, doi:10.1109/SC41405.2020.00084.
short: 'M. Lass, R. Schade, T. Kühne, C. Plessl, in: Proc. International Conference
for High Performance Computing, Networking, Storage and Analysis (SC), IEEE Computer
Society, Los Alamitos, CA, USA, 2020, pp. 1127–1140.'
conference:
location: Atlanta, GA, US
name: 'SC20: International Conference for High Performance Computing, Networking,
Storage and Analysis (SC)'
date_created: 2020-04-28T14:44:21Z
date_updated: 2023-08-02T14:55:59Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
doi: 10.1109/SC41405.2020.00084
external_id:
arxiv:
- '2004.10811'
language:
- iso: eng
main_file_link:
- url: https://ieeexplore.ieee.org/document/9355245
page: 1127-1140
place: Los Alamitos, CA, USA
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '32'
grant_number: PL 595/2-1 / 320898746
name: Performance and Efficiency in HPC with Custom Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proc. International Conference for High Performance Computing, Networking,
Storage and Analysis (SC)
publisher: IEEE Computer Society
quality_controlled: '1'
status: public
title: A Submatrix-Based Method for Approximate Matrix Function Evaluation in the
Quantum Chemistry Code CP2K
type: conference
user_id: '75963'
year: '2020'
...
---
_id: '40994'
abstract:
- lang: eng
text: Photoactive compounds are essential for photocatalytic and luminescent applications,
such as photoredox catalysis or light emitting diodes. However, the substitution
of noble metals, which are almost exclusively used, by base metals remains a major
challenge on the way to a more sustainable world.1 Iron is a dream candidate for
this ambitious aim.2 But compared to noble metal complexes that show long-lived
metal-to-ligand charge-transfer (MLCT) states, realization of emissive and photoactive
iron complexes is demanding, due to the fast deactivation of charge transfer states
into non-emissive inactive states. No MLCT emission has been observed for monometallic
iron complexes before. Consequently, dual emission could also not yet be realized
with iron complexes, as it is a very rare property even of noble metal compounds.
Here we report the FeIII complex [Fe(ImP)2][PF6]
(HImP = 1,1’-(1,3-phenylene)bis(3-methyl-1-imidazol-2-ylidene)), showing Janus-type
dual emission by combining LMCT (ligand-to-metal charge transfer) with MLCT luminescence.
The respective excited states are characterized by a record lifetime of τMLCT
= 4.2 ns, and a moderate τLMCT = 0.2 ns. Only two emissive
FeIII compounds are known so far and they show LMCT luminescence
only.3,4 The unique properties of the presented complex are caused by the specific
ligand design combining four N-heterocyclic carbenes with two cyclometalating
groups, using the σ-donor strength of six carbon atoms and the acceptor capabilities
of the central phenyl rings. Spectroscopically, doublet manifolds could be identified
in the deactivation process, while (TD)DFT analysis revealed the presence of quartets
as well. With three key advancements of realizing the first iron complex showing
dual luminescence, a MLCT luminescence and a world record MLCT lifetime, the results
constitute a basis for future application of iron complexes as white light emitters
and new photocatalytic reactions making use of the Janus-type properties of the
developed complex.
author:
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Jakob
full_name: Steube, Jakob
id: '40342'
last_name: Steube
orcid: 0000-0003-3178-4429
- first_name: Ayla
full_name: Päpcke, Ayla
last_name: Päpcke
- first_name: Olga
full_name: Bokareva, Olga
last_name: Bokareva
- first_name: Thomas
full_name: Reuter, Thomas
last_name: Reuter
- first_name: Serhiy
full_name: Demeshko, Serhiy
last_name: Demeshko
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Stephan
full_name: Hohloch, Stephan
last_name: Hohloch
- first_name: Franc
full_name: Meyer, Franc
last_name: Meyer
- first_name: Katja
full_name: Heinze, Katja
last_name: Heinze
- first_name: Oliver
full_name: Kühn, Oliver
last_name: Kühn
- first_name: Stefan
full_name: Lochbrunner, Stefan
last_name: Lochbrunner
citation:
ama: Bauer M, Steube J, Päpcke A, et al. Janus-type dual emission of a Cyclometalated
Iron(III) complex. Published online 2020.
apa: Bauer, M., Steube, J., Päpcke, A., Bokareva, O., Reuter, T., Demeshko, S.,
Schoch, R., Hohloch, S., Meyer, F., Heinze, K., Kühn, O., & Lochbrunner, S.
(2020). Janus-type dual emission of a Cyclometalated Iron(III) complex.
Research Square Platform LLC.
bibtex: '@article{Bauer_Steube_Päpcke_Bokareva_Reuter_Demeshko_Schoch_Hohloch_Meyer_Heinze_et
al._2020, title={Janus-type dual emission of a Cyclometalated Iron(III) complex},
publisher={Research Square Platform LLC}, author={Bauer, Matthias and Steube,
Jakob and Päpcke, Ayla and Bokareva, Olga and Reuter, Thomas and Demeshko, Serhiy
and Schoch, Roland and Hohloch, Stephan and Meyer, Franc and Heinze, Katja and
et al.}, year={2020} }'
chicago: Bauer, Matthias, Jakob Steube, Ayla Päpcke, Olga Bokareva, Thomas Reuter,
Serhiy Demeshko, Roland Schoch, et al. “Janus-Type Dual Emission of a Cyclometalated
Iron(III) Complex.” Research Square Platform LLC, 2020.
ieee: M. Bauer et al., “Janus-type dual emission of a Cyclometalated Iron(III)
complex.” Research Square Platform LLC, 2020.
mla: Bauer, Matthias, et al. Janus-Type Dual Emission of a Cyclometalated Iron(III)
Complex. Research Square Platform LLC, 2020.
short: M. Bauer, J. Steube, A. Päpcke, O. Bokareva, T. Reuter, S. Demeshko, R. Schoch,
S. Hohloch, F. Meyer, K. Heinze, O. Kühn, S. Lochbrunner, (2020).
date_created: 2023-01-30T16:45:05Z
date_updated: 2023-08-09T12:51:46Z
department:
- _id: '35'
- _id: '306'
language:
- iso: eng
publication_status: published
publisher: Research Square Platform LLC
status: public
title: Janus-type dual emission of a Cyclometalated Iron(III) complex
type: preprint
user_id: '48467'
year: '2020'
...
---
_id: '12878'
abstract:
- lang: eng
text: In scientific computing, the acceleration of atomistic computer simulations
by means of custom hardware is finding ever-growing application. A major limitation,
however, is that the high efficiency in terms of performance and low power consumption
entails the massive usage of low precision computing units. Here, based on the
approximate computing paradigm, we present an algorithmic method to compensate
for numerical inaccuracies due to low accuracy arithmetic operations rigorously,
yet still obtaining exact expectation values using a properly modified Langevin-type
equation.
article_number: '39'
author:
- first_name: Varadarajan
full_name: Rengaraj, Varadarajan
last_name: Rengaraj
- first_name: Michael
full_name: Lass, Michael
id: '24135'
last_name: Lass
orcid: 0000-0002-5708-7632
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
citation:
ama: Rengaraj V, Lass M, Plessl C, Kühne T. Accurate Sampling with Noisy Forces
from Approximate Computing. Computation. 2020;8(2). doi:10.3390/computation8020039
apa: Rengaraj, V., Lass, M., Plessl, C., & Kühne, T. (2020). Accurate Sampling
with Noisy Forces from Approximate Computing. Computation, 8(2),
Article 39. https://doi.org/10.3390/computation8020039
bibtex: '@article{Rengaraj_Lass_Plessl_Kühne_2020, title={Accurate Sampling with
Noisy Forces from Approximate Computing}, volume={8}, DOI={10.3390/computation8020039},
number={239}, journal={Computation}, publisher={MDPI}, author={Rengaraj, Varadarajan
and Lass, Michael and Plessl, Christian and Kühne, Thomas}, year={2020} }'
chicago: Rengaraj, Varadarajan, Michael Lass, Christian Plessl, and Thomas Kühne.
“Accurate Sampling with Noisy Forces from Approximate Computing.” Computation
8, no. 2 (2020). https://doi.org/10.3390/computation8020039.
ieee: 'V. Rengaraj, M. Lass, C. Plessl, and T. Kühne, “Accurate Sampling with Noisy
Forces from Approximate Computing,” Computation, vol. 8, no. 2, Art. no.
39, 2020, doi: 10.3390/computation8020039.'
mla: Rengaraj, Varadarajan, et al. “Accurate Sampling with Noisy Forces from Approximate
Computing.” Computation, vol. 8, no. 2, 39, MDPI, 2020, doi:10.3390/computation8020039.
short: V. Rengaraj, M. Lass, C. Plessl, T. Kühne, Computation 8 (2020).
date_created: 2019-07-23T12:03:07Z
date_updated: 2023-09-26T11:43:52Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
doi: 10.3390/computation8020039
external_id:
arxiv:
- '1907.08497'
intvolume: ' 8'
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://www.mdpi.com/2079-3197/8/2/39/pdf
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '32'
grant_number: PL 595/2-1 / 320898746
name: Performance and Efficiency in HPC with Custom Computing
publication: Computation
publisher: MDPI
quality_controlled: '1'
status: public
title: Accurate Sampling with Noisy Forces from Approximate Computing
type: journal_article
user_id: '15278'
volume: 8
year: '2020'
...
---
_id: '41025'
abstract:
- lang: eng
text: We investigate the structure-activity correlations of methanation catalysts
obtained by thermal decomposition of a Ni-based metal-organic framework, using
pair distribution function, X-ray absorption spectroscopy and X-ray diffraction.
author:
- first_name: Nils
full_name: Prinz, Nils
last_name: Prinz
- first_name: Leif
full_name: Schwensow, Leif
last_name: Schwensow
- first_name: Sven
full_name: Strübbe, Sven
id: '76968'
last_name: Strübbe
- first_name: Andreas
full_name: Jentys, Andreas
last_name: Jentys
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
- first_name: Wolfgang
full_name: Kleist, Wolfgang
last_name: Kleist
- first_name: Mirijam
full_name: Zobel, Mirijam
last_name: Zobel
citation:
ama: Prinz N, Schwensow L, Strübbe S, et al. Hard X-ray-based techniques for structural
investigations of CO2 methanation catalysts prepared by MOF decomposition. Nanoscale.
2020;12(29):15800-15813. doi:10.1039/d0nr01750g
apa: Prinz, N., Schwensow, L., Strübbe, S., Jentys, A., Bauer, M., Kleist, W., &
Zobel, M. (2020). Hard X-ray-based techniques for structural investigations of
CO2 methanation catalysts prepared by MOF decomposition. Nanoscale, 12(29),
15800–15813. https://doi.org/10.1039/d0nr01750g
bibtex: '@article{Prinz_Schwensow_Strübbe_Jentys_Bauer_Kleist_Zobel_2020, title={Hard
X-ray-based techniques for structural investigations of CO2 methanation catalysts
prepared by MOF decomposition}, volume={12}, DOI={10.1039/d0nr01750g},
number={29}, journal={Nanoscale}, publisher={Royal Society of Chemistry (RSC)},
author={Prinz, Nils and Schwensow, Leif and Strübbe, Sven and Jentys, Andreas
and Bauer, Matthias and Kleist, Wolfgang and Zobel, Mirijam}, year={2020}, pages={15800–15813}
}'
chicago: 'Prinz, Nils, Leif Schwensow, Sven Strübbe, Andreas Jentys, Matthias Bauer,
Wolfgang Kleist, and Mirijam Zobel. “Hard X-Ray-Based Techniques for Structural
Investigations of CO2 Methanation Catalysts Prepared by MOF Decomposition.” Nanoscale
12, no. 29 (2020): 15800–813. https://doi.org/10.1039/d0nr01750g.'
ieee: 'N. Prinz et al., “Hard X-ray-based techniques for structural investigations
of CO2 methanation catalysts prepared by MOF decomposition,” Nanoscale,
vol. 12, no. 29, pp. 15800–15813, 2020, doi: 10.1039/d0nr01750g.'
mla: Prinz, Nils, et al. “Hard X-Ray-Based Techniques for Structural Investigations
of CO2 Methanation Catalysts Prepared by MOF Decomposition.” Nanoscale,
vol. 12, no. 29, Royal Society of Chemistry (RSC), 2020, pp. 15800–13, doi:10.1039/d0nr01750g.
short: N. Prinz, L. Schwensow, S. Strübbe, A. Jentys, M. Bauer, W. Kleist, M. Zobel,
Nanoscale 12 (2020) 15800–15813.
date_created: 2023-01-30T17:47:17Z
date_updated: 2025-08-15T12:43:52Z
department:
- _id: '35'
- _id: '306'
doi: 10.1039/d0nr01750g
intvolume: ' 12'
issue: '29'
keyword:
- Xray
- Catalysis
language:
- iso: eng
page: 15800-15813
publication: Nanoscale
publication_identifier:
issn:
- 2040-3364
- 2040-3372
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Hard X-ray-based techniques for structural investigations of CO2 methanation
catalysts prepared by MOF decomposition
type: journal_article
user_id: '48467'
volume: 12
year: '2020'
...
---
_id: '62101'
abstract:
- lang: eng
text: AbstractThe carbon–carbon double bond of
unsaturated carbonyl compounds was readily reduced by using a phosphetane oxide
catalyst in the presence of a simple organosilane as the terminal reductant and
water as the hydrogen source. Quantitative hydrogenation was observed when 1.0 mol %
of a methyl‐substituted phosphetane oxide was employed as the catalyst. The procedure
is highly selective towards activated double bonds, tolerating a variety of functional
groups that are usually prone to reduction. In total, 25 alkenes and two alkynes
were hydrogenated to the corresponding alkanes in excellent yields of up to 99 %.
Notably, less active poly(methylhydrosiloxane) could also be utilized as the terminal
reductant. Mechanistic investigations revealed the phosphane as the catalyst resting
state and a protonation/deprotonation sequence as the crucial step in the catalytic
cycle.
author:
- first_name: Lars
full_name: Longwitz, Lars
last_name: Longwitz
- first_name: Thomas
full_name: Werner, Thomas
id: '89271'
last_name: Werner
orcid: 0000-0001-9025-3244
citation:
ama: Longwitz L, Werner T. Reduction of Activated Alkenes by PIII/PV
Redox Cycling Catalysis. Angewandte Chemie. 2020;132(7):2782-2785. doi:10.1002/ange.201912991
apa: Longwitz, L., & Werner, T. (2020). Reduction of Activated Alkenes by PIII/PV
Redox Cycling Catalysis. Angewandte Chemie, 132(7), 2782–2785. https://doi.org/10.1002/ange.201912991
bibtex: '@article{Longwitz_Werner_2020, title={Reduction of Activated Alkenes by
PIII/PV Redox Cycling Catalysis}, volume={132}, DOI={10.1002/ange.201912991}, number={7},
journal={Angewandte Chemie}, publisher={Wiley}, author={Longwitz, Lars and Werner,
Thomas}, year={2020}, pages={2782–2785} }'
chicago: 'Longwitz, Lars, and Thomas Werner. “Reduction of Activated Alkenes by
PIII/PV Redox Cycling Catalysis.” Angewandte Chemie
132, no. 7 (2020): 2782–85. https://doi.org/10.1002/ange.201912991.'
ieee: 'L. Longwitz and T. Werner, “Reduction of Activated Alkenes by PIII/PV
Redox Cycling Catalysis,” Angewandte Chemie, vol. 132, no. 7, pp. 2782–2785,
2020, doi: 10.1002/ange.201912991.'
mla: Longwitz, Lars, and Thomas Werner. “Reduction of Activated Alkenes by PIII/PV
Redox Cycling Catalysis.” Angewandte Chemie, vol. 132, no. 7, Wiley, 2020,
pp. 2782–85, doi:10.1002/ange.201912991.
short: L. Longwitz, T. Werner, Angewandte Chemie 132 (2020) 2782–2785.
date_created: 2025-11-05T15:39:06Z
date_updated: 2025-11-10T08:11:23Z
department:
- _id: '35'
- _id: '2'
doi: 10.1002/ange.201912991
intvolume: ' 132'
issue: '7'
keyword:
- T2
- T4
language:
- iso: eng
page: 2782-2785
publication: Angewandte Chemie
publication_identifier:
issn:
- 0044-8249
- 1521-3757
publication_status: published
publisher: Wiley
status: public
title: Reduction of Activated Alkenes by PIII/PV Redox Cycling
Catalysis
type: journal_article
user_id: '89271'
volume: 132
year: '2020'
...
---
_id: '62147'
author:
- first_name: Thomas
full_name: Werner, Thomas
id: '89271'
last_name: Werner
orcid: 0000-0001-9025-3244
- first_name: V.
full_name: Stefanow, V.
last_name: Stefanow
- first_name: A.
full_name: Grandane, A.
last_name: Grandane
- first_name: J.
full_name: Panten, J.
last_name: Panten
- first_name: M.
full_name: Eh, M.
last_name: Eh
citation:
ama: Werner T, Stefanow V, Grandane A, Panten J, Eh M. Novel processes for preparing
cis-cedrandiol. Published online 2020.
apa: Werner, T., Stefanow, V., Grandane, A., Panten, J., & Eh, M. (2020). Novel
processes for preparing cis-cedrandiol.
bibtex: '@article{Werner_Stefanow_Grandane_Panten_Eh_2020, title={Novel processes
for preparing cis-cedrandiol}, author={Werner, Thomas and Stefanow, V. and Grandane,
A. and Panten, J. and Eh, M.}, year={2020} }'
chicago: Werner, Thomas, V. Stefanow, A. Grandane, J. Panten, and M. Eh. “Novel
Processes for Preparing Cis-Cedrandiol,” 2020.
ieee: T. Werner, V. Stefanow, A. Grandane, J. Panten, and M. Eh, “Novel processes
for preparing cis-cedrandiol.” 2020.
mla: Werner, Thomas, et al. Novel Processes for Preparing Cis-Cedrandiol.
2020.
short: T. Werner, V. Stefanow, A. Grandane, J. Panten, M. Eh, (2020).
date_created: 2025-11-10T08:09:42Z
date_updated: 2025-11-10T08:10:00Z
department:
- _id: '35'
- _id: '2'
ipc: '-'
ipn: WO2022/002380 A1
keyword:
- T4
publication_date: 2022-01-06
status: public
title: Novel processes for preparing cis-cedrandiol
type: patent
user_id: '89271'
year: '2020'
...
---
_id: '37956'
author:
- first_name: Jennifer N.
full_name: Andexer, Jennifer N.
last_name: Andexer
- first_name: Uwe
full_name: Beifuss, Uwe
last_name: Beifuss
- first_name: Florian
full_name: Beuerle, Florian
last_name: Beuerle
- first_name: Malte
full_name: Brasholz, Malte
last_name: Brasholz
- first_name: Rolf
full_name: Breinbauer, Rolf
last_name: Breinbauer
- first_name: Martin
full_name: Ernst, Martin
last_name: Ernst
- first_name: Julian
full_name: Greb, Julian
last_name: Greb
- first_name: Tobias
full_name: Gulder, Tobias
last_name: Gulder
- first_name: Wolfgang
full_name: Hüttel, Wolfgang
last_name: Hüttel
- first_name: Stephanie
full_name: Kath‐Schorr, Stephanie
last_name: Kath‐Schorr
- first_name: Markus
full_name: Kordes, Markus
last_name: Kordes
- first_name: Matthias
full_name: Lehmann, Matthias
last_name: Lehmann
- first_name: Thomas
full_name: Lindel, Thomas
last_name: Lindel
- first_name: Burkhard
full_name: Luy, Burkhard
last_name: Luy
- first_name: Christian
full_name: Mück‐Lichtenfeld, Christian
last_name: Mück‐Lichtenfeld
- first_name: Claudia
full_name: Muhle, Claudia
last_name: Muhle
- first_name: Arun
full_name: Narine, Arun
last_name: Narine
- first_name: Jörg
full_name: Niemeyer, Jörg
last_name: Niemeyer
- first_name: Jan
full_name: Paradies, Jan
id: '53339'
last_name: Paradies
orcid: 0000-0002-3698-668X
- first_name: Roland
full_name: Pfau, Roland
last_name: Pfau
- first_name: Jörg
full_name: Pietruszka, Jörg
last_name: Pietruszka
- first_name: Norbert
full_name: Schaschke, Norbert
last_name: Schaschke
- first_name: Mathias
full_name: Senge, Mathias
last_name: Senge
- first_name: Bernd F.
full_name: Straub, Bernd F.
last_name: Straub
- first_name: Thomas
full_name: Werner, Thomas
id: '89271'
last_name: Werner
orcid: 0000-0001-9025-3244
- first_name: Daniel B.
full_name: Werz, Daniel B.
last_name: Werz
- first_name: Christian
full_name: Winter, Christian
last_name: Winter
citation:
ama: Andexer JN, Beifuss U, Beuerle F, et al. Organische Chemie. Nachrichten
aus der Chemie. 2020;68(3):42-72. doi:10.1002/nadc.20204095515
apa: Andexer, J. N., Beifuss, U., Beuerle, F., Brasholz, M., Breinbauer, R., Ernst,
M., Greb, J., Gulder, T., Hüttel, W., Kath‐Schorr, S., Kordes, M., Lehmann, M.,
Lindel, T., Luy, B., Mück‐Lichtenfeld, C., Muhle, C., Narine, A., Niemeyer, J.,
Paradies, J., … Winter, C. (2020). Organische Chemie. Nachrichten Aus Der Chemie,
68(3), 42–72. https://doi.org/10.1002/nadc.20204095515
bibtex: '@article{Andexer_Beifuss_Beuerle_Brasholz_Breinbauer_Ernst_Greb_Gulder_Hüttel_Kath‐Schorr_et
al._2020, title={Organische Chemie}, volume={68}, DOI={10.1002/nadc.20204095515},
number={3}, journal={Nachrichten aus der Chemie}, publisher={Wiley}, author={Andexer,
Jennifer N. and Beifuss, Uwe and Beuerle, Florian and Brasholz, Malte and Breinbauer,
Rolf and Ernst, Martin and Greb, Julian and Gulder, Tobias and Hüttel, Wolfgang
and Kath‐Schorr, Stephanie and et al.}, year={2020}, pages={42–72} }'
chicago: 'Andexer, Jennifer N., Uwe Beifuss, Florian Beuerle, Malte Brasholz, Rolf
Breinbauer, Martin Ernst, Julian Greb, et al. “Organische Chemie.” Nachrichten
Aus Der Chemie 68, no. 3 (2020): 42–72. https://doi.org/10.1002/nadc.20204095515.'
ieee: 'J. N. Andexer et al., “Organische Chemie,” Nachrichten aus der
Chemie, vol. 68, no. 3, pp. 42–72, 2020, doi: 10.1002/nadc.20204095515.'
mla: Andexer, Jennifer N., et al. “Organische Chemie.” Nachrichten Aus Der Chemie,
vol. 68, no. 3, Wiley, 2020, pp. 42–72, doi:10.1002/nadc.20204095515.
short: J.N. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst,
J. Greb, T. Gulder, W. Hüttel, S. Kath‐Schorr, M. Kordes, M. Lehmann, T. Lindel,
B. Luy, C. Mück‐Lichtenfeld, C. Muhle, A. Narine, J. Niemeyer, J. Paradies, R.
Pfau, J. Pietruszka, N. Schaschke, M. Senge, B.F. Straub, T. Werner, D.B. Werz,
C. Winter, Nachrichten Aus Der Chemie 68 (2020) 42–72.
date_created: 2023-01-22T20:40:48Z
date_updated: 2025-11-10T08:13:43Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
- _id: '389'
doi: 10.1002/nadc.20204095515
extern: '1'
intvolume: ' 68'
issue: '3'
keyword:
- General Chemical Engineering
- General Chemistry
language:
- iso: eng
page: 42-72
publication: Nachrichten aus der Chemie
publication_identifier:
issn:
- 1439-9598
- 1868-0054
publication_status: published
publisher: Wiley
status: public
title: Organische Chemie
type: journal_article
user_id: '89271'
volume: 68
year: '2020'
...
---
_id: '62102'
abstract:
- lang: eng
text: AbstractThe carbon–carbon double bond of
unsaturated carbonyl compounds was readily reduced by using a phosphetane oxide
catalyst in the presence of a simple organosilane as the terminal reductant and
water as the hydrogen source. Quantitative hydrogenation was observed when 1.0 mol %
of a methyl‐substituted phosphetane oxide was employed as the catalyst. The procedure
is highly selective towards activated double bonds, tolerating a variety of functional
groups that are usually prone to reduction. In total, 25 alkenes and two alkynes
were hydrogenated to the corresponding alkanes in excellent yields of up to 99 %.
Notably, less active poly(methylhydrosiloxane) could also be utilized as the terminal
reductant. Mechanistic investigations revealed the phosphane as the catalyst resting
state and a protonation/deprotonation sequence as the crucial step in the catalytic
cycle.
author:
- first_name: Lars
full_name: Longwitz, Lars
last_name: Longwitz
- first_name: Thomas
full_name: Werner, Thomas
id: '89271'
last_name: Werner
orcid: 0000-0001-9025-3244
citation:
ama: Longwitz L, Werner T. Reduction of Activated Alkenes by PIII/PV
Redox Cycling Catalysis. Angewandte Chemie International Edition. 2020;59(7):2760-2763.
doi:10.1002/anie.201912991
apa: Longwitz, L., & Werner, T. (2020). Reduction of Activated Alkenes by PIII/PV
Redox Cycling Catalysis. Angewandte Chemie International Edition, 59(7),
2760–2763. https://doi.org/10.1002/anie.201912991
bibtex: '@article{Longwitz_Werner_2020, title={Reduction of Activated Alkenes by
PIII/PV Redox Cycling Catalysis}, volume={59}, DOI={10.1002/anie.201912991},
number={7}, journal={Angewandte Chemie International Edition}, publisher={Wiley},
author={Longwitz, Lars and Werner, Thomas}, year={2020}, pages={2760–2763} }'
chicago: 'Longwitz, Lars, and Thomas Werner. “Reduction of Activated Alkenes by
PIII/PV Redox Cycling Catalysis.” Angewandte Chemie International
Edition 59, no. 7 (2020): 2760–63. https://doi.org/10.1002/anie.201912991.'
ieee: 'L. Longwitz and T. Werner, “Reduction of Activated Alkenes by PIII/PV
Redox Cycling Catalysis,” Angewandte Chemie International Edition, vol.
59, no. 7, pp. 2760–2763, 2020, doi: 10.1002/anie.201912991.'
mla: Longwitz, Lars, and Thomas Werner. “Reduction of Activated Alkenes by PIII/PV
Redox Cycling Catalysis.” Angewandte Chemie International Edition, vol.
59, no. 7, Wiley, 2020, pp. 2760–63, doi:10.1002/anie.201912991.
short: L. Longwitz, T. Werner, Angewandte Chemie International Edition 59 (2020)
2760–2763.
date_created: 2025-11-05T15:39:56Z
date_updated: 2025-11-10T08:49:52Z
department:
- _id: '35'
- _id: '2'
doi: 10.1002/anie.201912991
intvolume: ' 59'
issue: '7'
keyword:
- T2
- T4
- CSSD
language:
- iso: eng
page: 2760-2763
publication: Angewandte Chemie International Edition
publication_identifier:
issn:
- 1433-7851
- 1521-3773
publication_status: published
publisher: Wiley
status: public
title: Reduction of Activated Alkenes by PIII/PV Redox Cycling
Catalysis
type: journal_article
user_id: '89271'
volume: 59
year: '2020'
...
---
_id: '37951'
author:
- first_name: Xin
full_name: Liu, Xin
last_name: Liu
- first_name: Lars
full_name: Longwitz, Lars
last_name: Longwitz
- first_name: Brian
full_name: Spiegelberg, Brian
last_name: Spiegelberg
- first_name: Jan
full_name: Tönjes, Jan
last_name: Tönjes
- first_name: Torsten
full_name: Beweries, Torsten
last_name: Beweries
- first_name: Thomas
full_name: Werner, Thomas
id: '89271'
last_name: Werner
orcid: 0000-0001-9025-3244
citation:
ama: Liu X, Longwitz L, Spiegelberg B, Tönjes J, Beweries T, Werner T. Erbium-Catalyzed
Regioselective Isomerization–Cobalt-Catalyzed Transfer Hydrogenation Sequence
for the Synthesis of Anti-Markovnikov Alcohols from Epoxides under Mild Conditions.
ACS Catalysis. 2020;10(22):13659-13667. doi:10.1021/acscatal.0c03294
apa: Liu, X., Longwitz, L., Spiegelberg, B., Tönjes, J., Beweries, T., & Werner,
T. (2020). Erbium-Catalyzed Regioselective Isomerization–Cobalt-Catalyzed Transfer
Hydrogenation Sequence for the Synthesis of Anti-Markovnikov Alcohols from Epoxides
under Mild Conditions. ACS Catalysis, 10(22), 13659–13667. https://doi.org/10.1021/acscatal.0c03294
bibtex: '@article{Liu_Longwitz_Spiegelberg_Tönjes_Beweries_Werner_2020, title={Erbium-Catalyzed
Regioselective Isomerization–Cobalt-Catalyzed Transfer Hydrogenation Sequence
for the Synthesis of Anti-Markovnikov Alcohols from Epoxides under Mild Conditions},
volume={10}, DOI={10.1021/acscatal.0c03294},
number={22}, journal={ACS Catalysis}, publisher={American Chemical Society (ACS)},
author={Liu, Xin and Longwitz, Lars and Spiegelberg, Brian and Tönjes, Jan and
Beweries, Torsten and Werner, Thomas}, year={2020}, pages={13659–13667} }'
chicago: 'Liu, Xin, Lars Longwitz, Brian Spiegelberg, Jan Tönjes, Torsten Beweries,
and Thomas Werner. “Erbium-Catalyzed Regioselective Isomerization–Cobalt-Catalyzed
Transfer Hydrogenation Sequence for the Synthesis of Anti-Markovnikov Alcohols
from Epoxides under Mild Conditions.” ACS Catalysis 10, no. 22 (2020):
13659–67. https://doi.org/10.1021/acscatal.0c03294.'
ieee: 'X. Liu, L. Longwitz, B. Spiegelberg, J. Tönjes, T. Beweries, and T. Werner,
“Erbium-Catalyzed Regioselective Isomerization–Cobalt-Catalyzed Transfer Hydrogenation
Sequence for the Synthesis of Anti-Markovnikov Alcohols from Epoxides under Mild
Conditions,” ACS Catalysis, vol. 10, no. 22, pp. 13659–13667, 2020, doi:
10.1021/acscatal.0c03294.'
mla: Liu, Xin, et al. “Erbium-Catalyzed Regioselective Isomerization–Cobalt-Catalyzed
Transfer Hydrogenation Sequence for the Synthesis of Anti-Markovnikov Alcohols
from Epoxides under Mild Conditions.” ACS Catalysis, vol. 10, no. 22, American
Chemical Society (ACS), 2020, pp. 13659–67, doi:10.1021/acscatal.0c03294.
short: X. Liu, L. Longwitz, B. Spiegelberg, J. Tönjes, T. Beweries, T. Werner, ACS
Catalysis 10 (2020) 13659–13667.
date_created: 2023-01-22T20:35:25Z
date_updated: 2025-11-10T08:50:10Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1021/acscatal.0c03294
extern: '1'
intvolume: ' 10'
issue: '22'
keyword:
- T3
- CSSD
language:
- iso: eng
page: 13659-13667
publication: ACS Catalysis
publication_identifier:
issn:
- 2155-5435
- 2155-5435
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Erbium-Catalyzed Regioselective Isomerization–Cobalt-Catalyzed Transfer Hydrogenation
Sequence for the Synthesis of Anti-Markovnikov Alcohols from Epoxides under Mild
Conditions
type: journal_article
user_id: '89271'
volume: 10
year: '2020'
...
---
_id: '37955'
author:
- first_name: Christoph
full_name: Wulf, Christoph
last_name: Wulf
- first_name: Matthias
full_name: Reckers, Matthias
last_name: Reckers
- first_name: Anna
full_name: Perechodjuk, Anna
last_name: Perechodjuk
- first_name: Thomas
full_name: Werner, Thomas
id: '89271'
last_name: Werner
orcid: 0000-0001-9025-3244
citation:
ama: Wulf C, Reckers M, Perechodjuk A, Werner T. Catalytic Systems for the Synthesis
of Biscarbonates and Their Impact on the Sequential Preparation of Non-Isocyanate
Polyurethanes. ACS Sustainable Chemistry and Engineering. 2020;8(3):1651-1658.
doi:10.1021/acssuschemeng.9b06662
apa: Wulf, C., Reckers, M., Perechodjuk, A., & Werner, T. (2020). Catalytic
Systems for the Synthesis of Biscarbonates and Their Impact on the Sequential
Preparation of Non-Isocyanate Polyurethanes. ACS Sustainable Chemistry and
Engineering, 8(3), 1651–1658. https://doi.org/10.1021/acssuschemeng.9b06662
bibtex: '@article{Wulf_Reckers_Perechodjuk_Werner_2020, title={Catalytic Systems
for the Synthesis of Biscarbonates and Their Impact on the Sequential Preparation
of Non-Isocyanate Polyurethanes}, volume={8}, DOI={10.1021/acssuschemeng.9b06662},
number={3}, journal={ACS Sustainable Chemistry and Engineering}, publisher={American
Chemical Society (ACS)}, author={Wulf, Christoph and Reckers, Matthias and Perechodjuk,
Anna and Werner, Thomas}, year={2020}, pages={1651–1658} }'
chicago: 'Wulf, Christoph, Matthias Reckers, Anna Perechodjuk, and Thomas Werner.
“Catalytic Systems for the Synthesis of Biscarbonates and Their Impact on the
Sequential Preparation of Non-Isocyanate Polyurethanes.” ACS Sustainable Chemistry
and Engineering 8, no. 3 (2020): 1651–58. https://doi.org/10.1021/acssuschemeng.9b06662.'
ieee: 'C. Wulf, M. Reckers, A. Perechodjuk, and T. Werner, “Catalytic Systems for
the Synthesis of Biscarbonates and Their Impact on the Sequential Preparation
of Non-Isocyanate Polyurethanes,” ACS Sustainable Chemistry and Engineering,
vol. 8, no. 3, pp. 1651–1658, 2020, doi: 10.1021/acssuschemeng.9b06662.'
mla: Wulf, Christoph, et al. “Catalytic Systems for the Synthesis of Biscarbonates
and Their Impact on the Sequential Preparation of Non-Isocyanate Polyurethanes.”
ACS Sustainable Chemistry and Engineering, vol. 8, no. 3, American Chemical
Society (ACS), 2020, pp. 1651–58, doi:10.1021/acssuschemeng.9b06662.
short: C. Wulf, M. Reckers, A. Perechodjuk, T. Werner, ACS Sustainable Chemistry
and Engineering 8 (2020) 1651–1658.
date_created: 2023-01-22T20:39:32Z
date_updated: 2025-11-10T08:51:03Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1021/acssuschemeng.9b06662
extern: '1'
intvolume: ' 8'
issue: '3'
keyword:
- T1
- T3
- CSSD
language:
- iso: eng
page: 1651-1658
publication: ACS Sustainable Chemistry and Engineering
publication_identifier:
issn:
- 2168-0485
- 2168-0485
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Catalytic Systems for the Synthesis of Biscarbonates and Their Impact on the
Sequential Preparation of Non-Isocyanate Polyurethanes
type: journal_article
user_id: '89271'
volume: 8
year: '2020'
...