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The Journal of Physical Chemistry. A
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December 19, 2023
Quantitative Structure-Reactivity Relationships for Synthesis Planning: The Benzhydrylium Case
Maike Eckhoff, Johannes V Diedrich, Maike Mücke, et al.
Nature Materials
|
May 28, 2021
Machine-learned potentials for next-generation matter simulations
Pascal Friederich, Florian Häse, Jonny Proppe, et al.
Faraday Discussions
|
October 13, 2016
Uncertainty quantification for quantum chemical models of complex reaction networks
Jonny Proppe, Tamara Husch, Gregor N Simm, et al.
Journal of Chemical Theory and Computation
|
December 9, 2015
Heuristics-Guided Exploration of Reaction Mechanisms
Maike Bergeler, Gregor N Simm, Jonny Proppe, et al.
The Journal of Physical Chemistry. A
|
September 22, 2020
Exchange Spin Coupling from Gaussian Process Regression
Marc Philipp Bahlke, Natnael Mogos, Jonny Proppe, et al.
Organic & Biomolecular Chemistry
|
July 16, 2025
Revisiting Mayr's reactivity database: expansion, sensitivity analysis, and uncertainty quantification
Moritz K-E Wolff, Armin R Ofial, Jonny Proppe
Journal of Chemical Information and Modeling
|
March 15, 2021
Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome
Jon Uranga, Lukas Hasecke, Jonny Proppe, et al.
Chemical Reviews
|
March 4, 2026
Uncertainty Quantification for <i>In Silico</i> Chemistry
Tom Frömbgen, Elizaveta Surzhikova, Jürgen Dölz, et al.
Journal of Chemical Theory and Computation
|
January 24, 2023
Learning Conductance: Gaussian Process Regression for Molecular Electronics
Michael Deffner, Marc Philipp Weise, Haitao Zhang, et al.
The Journal of Physical Chemistry. A
|
November 14, 2014
Charge delocalization in an organic mixed valent bithiophene is greater than in a structurally analogous biselenophene
Ann Christin Jahnke, Jonny Proppe, Mariana Spulber, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 23) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
December 19, 2023
Quantitative Structure-Reactivity Relationships for Synthesis Planning: The Benzhydrylium Case
Maike Eckhoff, Johannes V Diedrich, Maike Mücke, et al.
Nature Materials
|
May 28, 2021
Machine-learned potentials for next-generation matter simulations
Pascal Friederich, Florian Häse, Jonny Proppe, et al.
Faraday Discussions
|
October 13, 2016
Uncertainty quantification for quantum chemical models of complex reaction networks
Jonny Proppe, Tamara Husch, Gregor N Simm, et al.
Journal of Chemical Theory and Computation
|
December 9, 2015
Heuristics-Guided Exploration of Reaction Mechanisms
Maike Bergeler, Gregor N Simm, Jonny Proppe, et al.
The Journal of Physical Chemistry. A
|
September 22, 2020
Exchange Spin Coupling from Gaussian Process Regression
Marc Philipp Bahlke, Natnael Mogos, Jonny Proppe, et al.
Organic & Biomolecular Chemistry
|
July 16, 2025
Revisiting Mayr's reactivity database: expansion, sensitivity analysis, and uncertainty quantification
Moritz K-E Wolff, Armin R Ofial, Jonny Proppe
Journal of Chemical Information and Modeling
|
March 15, 2021
Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome
Jon Uranga, Lukas Hasecke, Jonny Proppe, et al.
Chemical Reviews
|
March 4, 2026
Uncertainty Quantification for <i>In Silico</i> Chemistry
Tom Frömbgen, Elizaveta Surzhikova, Jürgen Dölz, et al.
Journal of Chemical Theory and Computation
|
January 24, 2023
Learning Conductance: Gaussian Process Regression for Molecular Electronics
Michael Deffner, Marc Philipp Weise, Haitao Zhang, et al.
The Journal of Physical Chemistry. A
|
November 14, 2014
Charge delocalization in an organic mixed valent bithiophene is greater than in a structurally analogous biselenophene
Ann Christin Jahnke, Jonny Proppe, Mariana Spulber, et al.
Page
of 3