Works by Bannwarth, Christoph

Results: 29

The Thermochemistry of London Dispersion-Driven Transition Metal Reactions: Getting the 'Right Answer for the Right Reason'.

Published in:

ChemistryOpen, 2014, v. 3, n. 5, p. 177, doi. 10.1002/open.201402017

By:

Hansen, Andreas;
Bannwarth, Christoph;
Grimme, Stefan;
Petrović, Predrag;
Werlé, Christophe;
Djukic, Jean-Pierre

Publication type:

Article

Diaryltriazolium Photoswitch: Reaching a Millisecond Cycloreversion with High Stability and NIR Absorption.

Published in:

Angewandte Chemie, 2024, v. 136, n. 8, p. 1, doi. 10.1002/ange.202318015

By:

Kolarski, Dušan;
Steinbach, Pit;
Bannwarth, Christoph;
Klaue, Kristin;
Hecht, Stefan

Publication type:

Article

Cycloadditions of Donor–Acceptor Cyclopropanes and ‐butanes using S=N‐Containing Reagents: Access to Cyclic Sulfinamides, Sulfonamides, and Sulfinamidines.

Published in:

Angewandte Chemie, 2021, v. 133, n. 49, p. 26029, doi. 10.1002/ange.202106596

By:

Oliver, Gwyndaf A.;
Loch, Maximilian N.;
Augustin, André U.;
Steinbach, Pit;
Sharique, Mohammed;
Tambar, Uttam K.;
Jones, Peter G.;
Bannwarth, Christoph;
Werz, Daniel B.

Publication type:

Article

Chiral photochemistry of achiral molecules.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-29662-1

By:

Raucci, Umberto;
Weir, Hayley;
Bannwarth, Christoph;
Sanchez, David M.;
Martínez, Todd J.

Publication type:

Article

Hot exciplexes in U-shaped TADF molecules with emission from locally excited states.

Published in:

Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-26439-w

By:

Schleper, A. Lennart;
Goushi, Kenichi;
Bannwarth, Christoph;
Haehnle, Bastian;
Welscher, Philipp J.;
Adachi, Chihaya;
Kuehne, Alexander J. C.

Publication type:

Article

Cover Image, Volume 11, Issue 2.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 2, p. 1, doi. 10.1002/wcms.1523

By:

Seritan, Stefan;
Bannwarth, Christoph;
Fales, Bryan S.;
Hohenstein, Edward G.;
Isborn, Christine M.;
Kokkila‐Schumacher, Sara I. L.;
Li, Xin;
Liu, Fang;
Luehr, Nathan;
Snyder, James W.;
Song, Chenchen;
Titov, Alexey V.;
Ufimtsev, Ivan S.;
Wang, Lee‐Ping;
Martínez, Todd J.

Publication type:

Article

TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 2, p. 1, doi. 10.1002/wcms.1494

By:

Seritan, Stefan;
Bannwarth, Christoph;
Fales, Bryan S.;
Hohenstein, Edward G.;
Isborn, Christine M.;
Kokkila‐Schumacher, Sara I. L.;
Li, Xin;
Liu, Fang;
Luehr, Nathan;
Snyder, James W.;
Song, Chenchen;
Titov, Alexey V.;
Ufimtsev, Ivan S.;
Wang, Lee‐Ping;
Martínez, Todd J.

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

Extension of the element parameter set for ultra-fast excitation spectra calculation (sTDA-xTB).

Published in:

Molecular Physics, 2019, v. 117, n. 9-12, p. 1104, doi. 10.1080/00268976.2018.1510141

By:

Seibert, Jakob;
Pisarek, Jana;
Schmitz, Sarah;
Bannwarth, Christoph;
Grimme, Stefan

Publication type:

Article

Diaryltriazolium Photoswitch: Reaching a Millisecond Cycloreversion with High Stability and NIR Absorption.

Published in:

Angewandte Chemie International Edition, 2024, v. 63, n. 8, p. 1, doi. 10.1002/anie.202318015

By:

Kolarski, Dušan;
Steinbach, Pit;
Bannwarth, Christoph;
Klaue, Kristin;
Hecht, Stefan

Publication type:

Article

Cycloadditions of Donor–Acceptor Cyclopropanes and ‐butanes using S=N‐Containing Reagents: Access to Cyclic Sulfinamides, Sulfonamides, and Sulfinamidines.

Published in:

Angewandte Chemie International Edition, 2021, v. 60, n. 49, p. 25825, doi. 10.1002/anie.202106596

By:

Oliver, Gwyndaf A.;
Loch, Maximilian N.;
Augustin, André U.;
Steinbach, Pit;
Sharique, Mohammed;
Tambar, Uttam K.;
Jones, Peter G.;
Bannwarth, Christoph;
Werz, Daniel B.

Publication type:

Article

Diastereoselective Self-Assembly of a Neutral Dinuclear Double-Stranded Zinc(II) Helicate via Narcissistic Self-Sorting.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 50, p. 12380, doi. 10.1002/chem.201702125

By:

Jarzebski, Andreas;
Tenten, Christina;
Bannwarth, Christoph;
Schnakenburg, Gregor;
Grimme, Stefan;
Lützen, Arne

Publication type:

Article

Electronic Circular Dichroism of [16]Helicene With Simplified TD-DFT: Beyond the Single Structure Approach.

Published in:

Chirality, 2016, v. 28, n. 5, p. 365, doi. 10.1002/chir.22594

By:

Bannwarth, Christoph;
Seibert, Jakob;
Grimme, Stefan

Publication type:

Article

Hot Exciton versus Hot Exciplex TADF Mechanism – Effect of the Donor‐Acceptor Functionalization Pattern on Anthracene‐based Emitters.

Published in:

ChemPhotoChem, 2024, v. 8, n. 11, p. 1, doi. 10.1002/cptc.202400141

By:

Majer, Felix;
Roß, Lars;
Respondek, A. Lennart;
Bannwarth, Christoph;
Kuehne, Alexander J. C.

Publication type:

Article

Semiempirische Quantenchemiemethoden/Trendbericht Theoretische Chemie 2024 (2/3).

Published in:

Nachrichten aus der Chemie, 2024, v. 72, n. 11, p. 52, doi. 10.1002/nadc.20244145552

By:

Bannwarth, Christoph

Publication type:

Article

Vollautomatisierte quantenchemische Berechnung von Spin-Spin- gekoppelten magnetischen Kernspinresonanzspektren.

Published in:

Angewandte Chemie, 2017, v. 129, n. 46, p. 14958, doi. 10.1002/ange.201708266

By:

Grimme, Stefan;
Bannwarth, Christoph;
Dohm, Sebastian;
Hansen, Andreas;
Pisarek, Jana;
Pracht, Philipp;
Seibert, Jakob;
Neese, Frank

Publication type:

Article

Frontispiz: Ein achtkerniger metallosupramolekularer Würfel mit Spin-Crossover-Eigenschaften.

Published in:

Angewandte Chemie, 2017, v. 129, n. 18, p. n/a, doi. 10.1002/ange.201781861

By:

Struch, Niklas;
Bannwarth, Christoph;
Ronson, Tanya K.;
Lorenz, Yvonne;
Mienert, Bernd;
Wagner, Norbert;
Engeser, Marianne;
Bill, Eckhard;
Puttreddy, Rakesh;
Rissanen, Kari;
Beck, Johannes;
Grimme, Stefan;
Nitschke, Jonathan R.;
Lützen, Arne

Publication type:

Article

Ein achtkerniger metallosupramolekularer Würfel mit Spin-Crossover-Eigenschaften.

Published in:

Angewandte Chemie, 2017, v. 129, n. 18, p. 5012, doi. 10.1002/ange.201700832

By:

Struch, Niklas;
Bannwarth, Christoph;
Ronson, Tanya K.;
Lorenz, Yvonne;
Mienert, Bernd;
Wagner, Norbert;
Engeser, Marianne;
Bill, Eckhard;
Puttreddy, Rakesh;
Rissanen, Kari;
Beck, Johannes;
Grimme, Stefan;
Nitschke, Jonathan R.;
Lützen, Arne

Publication type:

Article

Enantiotopos-selektive CH-Oxygenierung mit einem supramolekularen Ruthenium-Katalysator.

Published in:

Angewandte Chemie, 2015, v. 127, n. 2, p. 701, doi. 10.1002/ange.201409224

By:

Frost, James R.;
Huber, Stefan M.;
Breitenlechner, Stefan;
Bannwarth, Christoph;
Bach, Thorsten

Publication type:

Article

Enantiomerenreine [M6L12]- oder [M12L24]-Polyeder aus flexiblen Bis(pyridin)-Liganden.

Published in:

Angewandte Chemie, 2014, v. 126, n. 6, p. 1719, doi. 10.1002/ange.201308651

By:

Gütz, Christoph;
Hovorka, Rainer;
Klein, Christoph;
Jiang, Qian ‐ Qian;
Bannwarth, Christoph;
Engeser, Marianne;
Schmuck, Carsten;
Assenmacher, Wilfried;
Mader, Werner;
Topić, Filip;
Rissanen, Kari;
Grimme, Stefan;
Lützen, Arne

Publication type:

Article

Combinations of Ethers and B(C6F5)3 Function as Hydrogenation Catalysts.

Published in:

Angewandte Chemie, 2013, v. 125, n. 29, p. 7640, doi. 10.1002/ange.201303166

By:

Hounjet, Lindsay J.;
Bannwarth, Christoph;
Garon, Christian N.;
Caputo, Christopher B.;
Grimme, Stefan;
Stephan, Douglas W.

Publication type:

Article

Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra.

Published in:

Angewandte Chemie International Edition, 2017, v. 56, n. 46, p. 14763, doi. 10.1002/anie.201708266

By:

Grimme, Stefan;
Bannwarth, Christoph;
Dohm, Sebastian;
Hansen, Andreas;
Pisarek, Jana;
Pracht, Philipp;
Seibert, Jakob;
Neese, Frank

Publication type:

Article

Frontispiece: An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin-Crossover Behavior.

Published in:

Angewandte Chemie International Edition, 2017, v. 56, n. 18, p. n/a, doi. 10.1002/anie.201781861

By:

Struch, Niklas;
Bannwarth, Christoph;
Ronson, Tanya K.;
Lorenz, Yvonne;
Mienert, Bernd;
Wagner, Norbert;
Engeser, Marianne;
Bill, Eckhard;
Puttreddy, Rakesh;
Rissanen, Kari;
Beck, Johannes;
Grimme, Stefan;
Nitschke, Jonathan R.;
Lützen, Arne

Publication type:

Article

An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin-Crossover Behavior.

Published in:

Angewandte Chemie International Edition, 2017, v. 56, n. 18, p. 4930, doi. 10.1002/anie.201700832

By:

Struch, Niklas;
Bannwarth, Christoph;
Ronson, Tanya K.;
Lorenz, Yvonne;
Mienert, Bernd;
Wagner, Norbert;
Engeser, Marianne;
Bill, Eckhard;
Puttreddy, Rakesh;
Rissanen, Kari;
Beck, Johannes;
Grimme, Stefan;
Nitschke, Jonathan R.;
Lützen, Arne

Publication type:

Article

Enantiotopos-Selective CH Oxygenation Catalyzed by a Supramolecular Ruthenium Complex.

Published in:

Angewandte Chemie International Edition, 2015, v. 54, n. 2, p. 691, doi. 10.1002/anie.201409224

By:

Frost, James R.;
Huber, Stefan M.;
Breitenlechner, Stefan;
Bannwarth, Christoph;
Bach, Thorsten

Publication type:

Article

Enantiomerically Pure [M6L12] or [M12L24] Polyhedra from Flexible Bis(Pyridine) Ligands.

Published in:

Angewandte Chemie International Edition, 2014, v. 53, n. 6, p. 1693, doi. 10.1002/anie.201308651

By:

Gütz, Christoph;
Hovorka, Rainer;
Klein, Christoph;
Jiang, Qian‐Qian;
Bannwarth, Christoph;
Engeser, Marianne;
Schmuck, Carsten;
Assenmacher, Wilfried;
Mader, Werner;
Topić, Filip;
Rissanen, Kari;
Grimme, Stefan;
Lützen, Arne

Publication type:

Article

Combinations of Ethers and B(C6F5)3 Function as Hydrogenation Catalysts.

Published in:

Angewandte Chemie International Edition, 2013, v. 52, n. 29, p. 7492, doi. 10.1002/anie.201303166

By:

Hounjet, Lindsay J.;
Bannwarth, Christoph;
Garon, Christian N.;
Caputo, Christopher B.;
Grimme, Stefan;
Stephan, Douglas W.

Publication type:

Article

Pyridyl Containing 1,5-Diaza-3,7-diphosphacyclooctanes as Bridging Ligands for Dinuclear Copper(I) Complexes.

Published in:

Zeitschrift für Anorganische und Allgemeine Chemie, 2017, v. 643, n. 14, p. 895, doi. 10.1002/zaac.201700049

By:

Strelnik, Igor D.;
Musina, Elvira I.;
Ignatieva, Svetlana N.;
Balueva, Anna S.;
Gerasimova, Tatiana P.;
Katsyuba, Sergey A.;
Krivolapov, Dmitry B.;
Dobrynin, Alexey B.;
Bannwarth, Christoph;
Grimme, Stefan;
Kolesnikov, Ilya E.;
Karasik, Andrey A.;
Sinyashin, Oleg G.

Publication type:

Article

On the Effect of Donor Strength on the Photoluminescence Performance in Mono‐Substituted N‐Donor Triarylmethyl Radicals.

Published in:

Advanced Optical Materials, 2024, v. 12, n. 22, p. 1, doi. 10.1002/adom.202400697

By:

Arnold, Mona E.;
Roß, Lars;
Thielert, Philipp;
Bartley, Francisca;
Zolg, Julia;
Bartsch, Florian;
Kibler, Ludwig A.;
Richert, Sabine;
Bannwarth, Christoph;
Kuehne, Alexander J. C.

Publication type:

Article

Works by Bannwarth, Christoph

The Thermochemistry of London Dispersion-Driven Transition Metal Reactions: Getting the 'Right Answer for the Right Reason'.

Diaryltriazolium Photoswitch: Reaching a Millisecond Cycloreversion with High Stability and NIR Absorption.

Cycloadditions of Donor–Acceptor Cyclopropanes and ‐butanes using S=N‐Containing Reagents: Access to Cyclic Sulfinamides, Sulfonamides, and Sulfinamidines.

Chiral photochemistry of achiral molecules.

Hot exciplexes in U-shaped TADF molecules with emission from locally excited states.

Cover Image, Volume 11, Issue 2.

TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics.

Extended tight‐binding quantum chemistry methods.

Extension of the element parameter set for ultra-fast excitation spectra calculation (sTDA-xTB).

Diaryltriazolium Photoswitch: Reaching a Millisecond Cycloreversion with High Stability and NIR Absorption.

Cycloadditions of Donor–Acceptor Cyclopropanes and ‐butanes using S=N‐Containing Reagents: Access to Cyclic Sulfinamides, Sulfonamides, and Sulfinamidines.

Diastereoselective Self-Assembly of a Neutral Dinuclear Double-Stranded Zinc(II) Helicate via Narcissistic Self-Sorting.

Electronic Circular Dichroism of [16]Helicene With Simplified TD-DFT: Beyond the Single Structure Approach.

Hot Exciton versus Hot Exciplex TADF Mechanism – Effect of the Donor‐Acceptor Functionalization Pattern on Anthracene‐based Emitters.

Semiempirische Quantenchemiemethoden/Trendbericht Theoretische Chemie 2024 (2/3).

Vollautomatisierte quantenchemische Berechnung von Spin-Spin- gekoppelten magnetischen Kernspinresonanzspektren.

Frontispiz: Ein achtkerniger metallosupramolekularer Würfel mit Spin-Crossover-Eigenschaften.

Ein achtkerniger metallosupramolekularer Würfel mit Spin-Crossover-Eigenschaften.

Enantiotopos-selektive CH-Oxygenierung mit einem supramolekularen Ruthenium-Katalysator.

Enantiomerenreine [M<sub>6</sub>L<sub>12</sub>]- oder [M<sub>12</sub>L<sub>24</sub>]-Polyeder aus flexiblen Bis(pyridin)-Liganden.

Combinations of Ethers and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Function as Hydrogenation Catalysts.

Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra.

Frontispiece: An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin-Crossover Behavior.

An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin-Crossover Behavior.

Enantiotopos-Selective CH Oxygenation Catalyzed by a Supramolecular Ruthenium Complex.

Enantiomerically Pure [M<sub>6</sub>L<sub>12</sub>] or [M<sub>12</sub>L<sub>24</sub>] Polyhedra from Flexible Bis(Pyridine) Ligands.

Combinations of Ethers and B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Function as Hydrogenation Catalysts.

Pyridyl Containing 1,5-Diaza-3,7-diphosphacyclooctanes as Bridging Ligands for Dinuclear Copper(I) Complexes.

On the Effect of Donor Strength on the Photoluminescence Performance in Mono‐Substituted N‐Donor Triarylmethyl Radicals.