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Journal of Chemical Theory and Computation
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July 15, 2025
Acceleration of Semiempirical Electronic Structure Theory Calculations on Consumer-Grade GPUs Using Mixed-Precision Density Matrix Purification
Pit Steinbach, Christoph Bannwarth
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2024
Combining low-cost electronic structure theory and low-cost parallel computing architecture
Pit Steinbach, Christoph Bannwarth
Angewandte Chemie (International Ed. in English)
|
December 20, 2023
Diaryltriazolium Photoswitch: Reaching a Millisecond Cycloreversion with High Stability and NIR Absorption
Dušan Kolarski, Pit Steinbach, Christoph Bannwarth, et al.
Journal of the American Chemical Society
|
June 6, 2022
Photochemical Deracemization of Chiral Alkenes via Triplet Energy Transfer
Thilo Kratz, Pit Steinbach, Stefan Breitenlechner, et al.
The Journal of Physical Chemistry. A
|
February 27, 2025
Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding
Abylay Katbashev, Marcel Stahn, Thomas Rose, et al.
Angewandte Chemie (International Ed. in English)
|
September 9, 2021
Cycloadditions of Donor-Acceptor Cyclopropanes and -butanes using S=N-Containing Reagents: Access to Cyclic Sulfinamides, Sulfonamides, and Sulfinamidines
Gwyndaf A Oliver, Maximilian N Loch, André U Augustin, et al.
The Journal of Chemical Physics
|
March 21, 2024
CREST-A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, Christoph Bannwarth, et al.
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Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 15, 2025
Acceleration of Semiempirical Electronic Structure Theory Calculations on Consumer-Grade GPUs Using Mixed-Precision Density Matrix Purification
Pit Steinbach, Christoph Bannwarth
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2024
Combining low-cost electronic structure theory and low-cost parallel computing architecture
Pit Steinbach, Christoph Bannwarth
Angewandte Chemie (International Ed. in English)
|
December 20, 2023
Diaryltriazolium Photoswitch: Reaching a Millisecond Cycloreversion with High Stability and NIR Absorption
Dušan Kolarski, Pit Steinbach, Christoph Bannwarth, et al.
Journal of the American Chemical Society
|
June 6, 2022
Photochemical Deracemization of Chiral Alkenes via Triplet Energy Transfer
Thilo Kratz, Pit Steinbach, Stefan Breitenlechner, et al.
The Journal of Physical Chemistry. A
|
February 27, 2025
Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding
Abylay Katbashev, Marcel Stahn, Thomas Rose, et al.
Angewandte Chemie (International Ed. in English)
|
September 9, 2021
Cycloadditions of Donor-Acceptor Cyclopropanes and -butanes using S=N-Containing Reagents: Access to Cyclic Sulfinamides, Sulfonamides, and Sulfinamidines
Gwyndaf A Oliver, Maximilian N Loch, André U Augustin, et al.
The Journal of Chemical Physics
|
March 21, 2024
CREST-A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, Christoph Bannwarth, et al.
Page
of 1