Works by Spicher, Sebastian

Results: 17

The Role of Packing, Dispersion, Electrostatics, and Solvation in High‐Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202200529

By:

Grimm, Laura M.;
Spicher, Sebastian;
Tkachenko, Boryslav;
Schreiner, Peter R.;
Grimme, Stefan;
Biedermann, Frank

Publication type:

Article

Ox‐SLIM: Synthesis of and Site‐Specific Labelling with a Highly Hydrophilic Trityl Spin Label.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 16, p. 5292, doi. 10.1002/chem.202100013

By:

Fleck, Nico;
Heubach, Caspar;
Hett, Tobias;
Spicher, Sebastian;
Grimme, Stefan;
Schiemann, Olav

Publication type:

Article

Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs.

Published in:

Angewandte Chemie, 2023, v. 135, n. 35, p. 1, doi. 10.1002/ange.202308752

By:

Sieland, Benedikt;
Stahn, Marcel;
Schoch, Roland;
Daniliuc, Constantin;
Spicher, Sebastian;
Grimme, Stefan;
Hansen, Andreas;
Paradies, Jan

Publication type:

Article

Titelbild: Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze (Angew. Chem. 52/2021).

Published in:

Angewandte Chemie, 2021, v. 133, n. 52, p. 27073, doi. 10.1002/ange.202114608

By:

Poluektov, Georgiy;
Keller, Tristan J.;
Jochemich, Anna;
Krönert, Anna;
Müller, Ute;
Spicher, Sebastian;
Grimme, Stefan;
Jester, Stefan‐S.;
Höger, Sigurd

Publication type:

Article

Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze.

Published in:

Angewandte Chemie, 2021, v. 133, n. 52, p. 27470, doi. 10.1002/ange.202111869

By:

Poluektov, Georgiy;
Keller, Tristan J.;
Jochemich, Anna;
Krönert, Anna;
Müller, Ute;
Spicher, Sebastian;
Grimme, Stefan;
Jester, Stefan‐S.;
Höger, Sigurd

Publication type:

Article

Robust Atomistic Modeling of Materials, Organometallic, and Biochemical Systems.

Published in:

Angewandte Chemie, 2020, v. 132, n. 36, p. 15795, doi. 10.1002/ange.202004239

By:

Spicher, Sebastian;
Grimme, Stefan

Publication type:

Article

Nanoscale π-conjugated ladders.

Published in:

Nature Communications, 2021, v. 12, p. 1, doi. 10.1038/s41467-021-26688-9

By:

Meißner, Stefanie A.;
Eder, Theresa;
Keller, Tristan J.;
Hofmeister, David A.;
Spicher, Sebastian;
Jester, Stefan-S.;
Vogelsang, Jan;
Grimme, Stefan;
Lupton, John M.;
Höger, Sigurd

Publication type:

Article

Extended tight‐binding quantum chemistry methods.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 2, p. 1, doi. 10.1002/wcms.1493

By:

Bannwarth, Christoph;
Caldeweyher, Eike;
Ehlert, Sebastian;
Hansen, Andreas;
Pracht, Philipp;
Seibert, Jakob;
Spicher, Sebastian;
Grimme, Stefan

Publication type:

Article

Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs.

Published in:

Angewandte Chemie International Edition, 2023, v. 62, n. 35, p. 1, doi. 10.1002/anie.202308752

By:

Sieland, Benedikt;
Stahn, Marcel;
Schoch, Roland;
Daniliuc, Constantin;
Spicher, Sebastian;
Grimme, Stefan;
Hansen, Andreas;
Paradies, Jan

Publication type:

Article

Cover Picture: Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze (Angew. Chem. Int. Ed. 52/2021).

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 52, p. 26869, doi. 10.1002/anie.202114608

By:

Poluektov, Georgiy;
Keller, Tristan J.;
Jochemich, Anna;
Krönert, Anna;
Müller, Ute;
Spicher, Sebastian;
Grimme, Stefan;
Jester, Stefan‐S.;
Höger, Sigurd

Publication type:

Article

Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 52, p. 27264, doi. 10.1002/anie.202111869

By:

Poluektov, Georgiy;
Keller, Tristan J.;
Jochemich, Anna;
Krönert, Anna;
Müller, Ute;
Spicher, Sebastian;
Grimme, Stefan;
Jester, Stefan‐S.;
Höger, Sigurd

Publication type:

Article

Robust Atomistic Modeling of Materials, Organometallic, and Biochemical Systems.

Published in:

Angewandte Chemie International Edition, 2020, v. 59, n. 36, p. 15665, doi. 10.1002/anie.202004239

By:

Spicher, Sebastian;
Grimme, Stefan

Publication type:

Article

Pulsed EPR Dipolar Spectroscopy on Spin Pairs with one Highly Anisotropic Spin Center: The Low‐Spin FeIII Case.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 63, p. 14388, doi. 10.1002/chem.201902908

By:

Abdullin, Dinar;
Brehm, Philipp;
Fleck, Nico;
Spicher, Sebastian;
Grimme, Stefan;
Schiemann, Olav

Publication type:

Article

Pulsed EPR Dipolar Spectroscopy under the Breakdown of the High‐Field Approximation: The High‐Spin Iron(III) Case.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 37, p. 8820, doi. 10.1002/chem.201900977

By:

Abdullin, Dinar;
Matsuoka, Hideto;
Yulikov, Maxim;
Fleck, Nico;
Klein, Christoph;
Spicher, Sebastian;
Hagelueken, Gregor;
Grimme, Stefan;
Lützen, Arne;
Schiemann, Olav

Publication type:

Article

Synthesis of μ2‐Oxo‐Bridged Iron(III) Tetraphenylporphyrin–Spacer–Nitroxide Dimers and their Structural and Dynamics Characterization by using EPR and MD Simulations.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 10, p. 2586, doi. 10.1002/chem.201805016

By:

Abdullin, Dinar;
Fleck, Nico;
Klein, Christoph;
Brehm, Philipp;
Spicher, Sebastian;
Lützen, Arne;
Grimme, Stefan;
Schiemann, Olav

Publication type:

Article

Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution.

Published in:

Journal of Computational Chemistry, 2022, v. 43, n. 4, p. 279, doi. 10.1002/jcc.26788

By:

Katsyuba, Sergey A.;
Gerasimova, Tatiana P.;
Spicher, Sebastian;
Bohle, Fabian;
Grimme, Stefan

Publication type:

Article

Synthesis of Nanometer Sized Bis- and Tris-trityl Model Compounds with Different Extent of Spin–Spin Coupling.

Published in:

Molecules, 2018, v. 23, n. 3, p. 682, doi. 10.3390/molecules23030682

By:

Jassoy, J. Jacques;
Meyer, Andreas;
Spicher, Sebastian;
Wuebben, Christine;
Schiemann, Olav

Publication type:

Article

Works by Spicher, Sebastian

The Role of Packing, Dispersion, Electrostatics, and Solvation in High‐Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests.

Ox‐SLIM: Synthesis of and Site‐Specific Labelling with a Highly Hydrophilic Trityl Spin Label.

Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs.

Titelbild: Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze (Angew. Chem. 52/2021).

Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze.

Robust Atomistic Modeling of Materials, Organometallic, and Biochemical Systems.

Nanoscale π-conjugated ladders.

Extended tight‐binding quantum chemistry methods.

Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs.

Cover Picture: Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze (Angew. Chem. Int. Ed. 52/2021).

Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze.

Robust Atomistic Modeling of Materials, Organometallic, and Biochemical Systems.

Pulsed EPR Dipolar Spectroscopy on Spin Pairs with one Highly Anisotropic Spin Center: The Low‐Spin Fe<sup>III</sup> Case.

Pulsed EPR Dipolar Spectroscopy under the Breakdown of the High‐Field Approximation: The High‐Spin Iron(III) Case.

Synthesis of μ<sub>2</sub>‐Oxo‐Bridged Iron(III) Tetraphenylporphyrin–Spacer–Nitroxide Dimers and their Structural and Dynamics Characterization by using EPR and MD Simulations.

Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl<sub>4</sub> solution.

Synthesis of Nanometer Sized Bis- and Tris-trityl Model Compounds with Different Extent of Spin–Spin Coupling.