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Angewandte Chemie (International Ed. in English)
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December 17, 2024
Mechanistic Insights Into Post-Translational α-Keto-β-Amino Acid Formation by a Radical S-Adenosyl Methionine Peptide Splicease
Anna L Vagstad, Edgars Lakis, Katja-Sophia Csizi, et al.
Journal of Chemical Theory and Computation
|
July 29, 2025
Hierarchical Quantum Embedding by Machine Learning for Large Molecular Assemblies
Moritz Bensberg, Marco Eckhoff, Raphael T Husistein, et al.
Journal of Chemical Theory and Computation
|
August 5, 2025
Machine Learning-Enhanced Calculation of Quantum-Classical Binding Free Energies
Moritz Bensberg, Marco Eckhoff, F Emil Thomasen, et al.
Journal of Computational Chemistry
|
June 6, 2009
MOLCAS 7: the next generation
Francesco Aquilante, Luca De Vico, Nicolas Ferré, et al.
JACS Au
|
January 30, 2026
Disentangling First and Second Sphere Effects in Iron-Sulfur Cubanes
Liam Grunwald, Katja-Sophia Csizi, Daniel Klose, et al.
The Journal of Chemical Physics
|
June 10, 2024
SCINE-Software for chemical interaction networks
Thomas Weymuth, Jan P Unsleber, Paul L Türtscher, et al.
Journal of the American Chemical Society
|
February 20, 2026
Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence
Konstantinos D Vogiatzis, Clémence Corminboeuf, Ainara Nova, et al.
Journal of Chemical Theory and Computation
|
April 19, 2026
How to Use Quantum Computers for Biomolecular Free Energies
Jakob Günther, Thomas Weymuth, Moritz Bensberg, et al.
Faraday Discussions
|
October 14, 2024
Stochastic and low-scaling techniques/extended systems: general discussion
Ali Alavi, Kemal Atalar, Timothy C Berkelbach, et al.
Faraday Discussions
|
November 23, 2019
Understanding unusual element-element bond formation and activation: general discussion
Yutaka Aoki, Thomas Braun, David Davies, et al.
Page
of 27
Search research articles
Search
Showing results (251-260 of 270) with videos related to
Sort By:
Page
of 27
Angewandte Chemie (International Ed. in English)
|
December 17, 2024
Mechanistic Insights Into Post-Translational α-Keto-β-Amino Acid Formation by a Radical S-Adenosyl Methionine Peptide Splicease
Anna L Vagstad, Edgars Lakis, Katja-Sophia Csizi, et al.
Journal of Chemical Theory and Computation
|
July 29, 2025
Hierarchical Quantum Embedding by Machine Learning for Large Molecular Assemblies
Moritz Bensberg, Marco Eckhoff, Raphael T Husistein, et al.
Journal of Chemical Theory and Computation
|
August 5, 2025
Machine Learning-Enhanced Calculation of Quantum-Classical Binding Free Energies
Moritz Bensberg, Marco Eckhoff, F Emil Thomasen, et al.
Journal of Computational Chemistry
|
June 6, 2009
MOLCAS 7: the next generation
Francesco Aquilante, Luca De Vico, Nicolas Ferré, et al.
JACS Au
|
January 30, 2026
Disentangling First and Second Sphere Effects in Iron-Sulfur Cubanes
Liam Grunwald, Katja-Sophia Csizi, Daniel Klose, et al.
The Journal of Chemical Physics
|
June 10, 2024
SCINE-Software for chemical interaction networks
Thomas Weymuth, Jan P Unsleber, Paul L Türtscher, et al.
Journal of the American Chemical Society
|
February 20, 2026
Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence
Konstantinos D Vogiatzis, Clémence Corminboeuf, Ainara Nova, et al.
Journal of Chemical Theory and Computation
|
April 19, 2026
How to Use Quantum Computers for Biomolecular Free Energies
Jakob Günther, Thomas Weymuth, Moritz Bensberg, et al.
Faraday Discussions
|
October 14, 2024
Stochastic and low-scaling techniques/extended systems: general discussion
Ali Alavi, Kemal Atalar, Timothy C Berkelbach, et al.
Faraday Discussions
|
November 23, 2019
Understanding unusual element-element bond formation and activation: general discussion
Yutaka Aoki, Thomas Braun, David Davies, et al.
Page
of 27