Zobrazeno 1 - 10
of 69
pro vyhledávání: '"Christoph Bannwarth"'
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-7 (2022)
The authors report non-adiabatic first principles molecular dynamics to show how an achiral molecule can be converted to a chiral one upon photoexcitation. These results demonstrate the possibility of asymmetric photochemistry starting from achiral r
Externí odkaz:
https://doaj.org/article/2762406151b64647a396d6c6a2795f06
Autor:
A. Lennart Schleper, Kenichi Goushi, Christoph Bannwarth, Bastian Haehnle, Philipp J. Welscher, Chihaya Adachi, Alexander J. C. Kuehne
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
Molecular designs improving the performance of thermally activated delayed fluorescence (TADF) emitters are greatly desired for optoelectronic applications. The authors propose a molecular geometry with donor and acceptor moieties facing each other s
Externí odkaz:
https://doaj.org/article/c7299adf24234c46a6b819a419b86800
Autor:
Philipp Pracht, Christoph Bannwarth
Publikováno v:
The Journal of Physical Chemistry Letters. 14:4440-4448
Autor:
Roger Jan Kutta, Johannes Großkopf, Nils van Staalduinen, Antonia Seitz, Philipp Pracht, Stefan Breitenlechner, Christoph Bannwarth, Patrick Nuernberger, Thorsten Bach
Publikováno v:
Journal of the American Chemical Society. 145:2354-2363
Autor:
Philipp Pracht, Christoph Bannwarth
Publikováno v:
Journal of Chemical Theory and Computation. 18:6370-6385
The investigation of photochemical processes is a highly active field in computational chemistry. One research direction is the automated exploration and identification of minimum energy conical intersection (MECI) geometries. However, due to the imm
Autor:
Thilo Kratz, Pit Steinbach, Stefan Breitenlechner, Golo Storch, Christoph Bannwarth, Thorsten Bach
Publikováno v:
Journal of the American Chemical Society. 144:10133-10138
A visible-light-mediated, enantioselective approach to axially chiral alkenes is described. Starting from a racemic mixture, a major alkene enantiomer is formed due to selective triplet energy transfer from a catalytically active chiral sensitizer. A
Autor:
Uttam K. Tambar, Gwyndaf A. Oliver, Christoph Bannwarth, André U. Augustin, Maximilian N. Loch, Pit Steinbach, Mohammed Sharique, Daniel B. Werz, Peter G. Jones
Publikováno v:
Angewandte Chemie / International edition 60(49), 25825-25831 (2021). doi:10.1002/anie.202106596
Angewandte Chemie 133(49), 26029-26035 (2021). doi:10.1002/ange.202106596
Angewandte Chemie 133(49), 26029-26035 (2021). doi:10.1002/ange.202106596
Angewandte Chemie / International edition 60(49), 25825-25831 (2021). doi:10.1002/anie.202106596
Published by Wiley-VCH, Weinheim
Published by Wiley-VCH, Weinheim
Autor:
Henrik Koch, Christoph Bannwarth, Nanna Holmgaard List, Sarai D. Folkestad, Edward G. Hohenstein, Jimmy K. Yu, Alexander C. Paul, Todd J. Martínez
Publikováno v:
Journal of Chemical Theory and Computation. 17:7120-7133
Time-resolved near-edge X-ray absorption fine structure (TR-NEXAFS) spectroscopy is a powerful technique for studying photochemical reaction dynamics with femtosecond time resolution. In order to avoid ambiguity in TR-NEXAFS spectra from nonadiabatic
Publikováno v:
Journal of the American Chemical Society. 143:11209-11217
The photochemical deracemization of 2,4-disubstituted 2,3-butadienamides (allene amides) was investigated both experimentally and theoretically. The reaction was catalyzed by a thioxanthone which is covalently linked to a chiral 1,5,7-trimethyl-3-aza
Autor:
A. Lennart Schleper, Sabina Hillebrandt, Christoph Bannwarth, Andreas Mischok, Seonil Kwon, Florian Buchner, Francisco Tenopala-Carmona, R. Jürgen Behm, Felix D. Goll, Philipp J. Welscher, Michael Usselmann, Ulrich Ziener, Malte C. Gather, Alexander J. C. Kuehne
Funding: A. L. S. acknowledges financial support through a Cusanuswerk scholarship. The authors acknowledge support by the state of Baden-Württemberg through bwHPC and the German Research Foundation (DFG) through grant no INST 40/575-1 FUGG (JUSTUS
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d15216413c36ae383b716c9896a5bf2b
https://hdl.handle.net/10023/27463
https://hdl.handle.net/10023/27463