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Journal of Chemical Theory and Computation
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January 4, 2020
Self-Consistent Implementation of Hybrid Functionals with Local Range Separation
Sascha Klawohn, Hilke Bahmann
Journal of Chemical Theory and Computation
|
July 20, 2016
Implementation of Molecular Gradients for Local Hybrid Density Functionals Using Seminumerical Integration Techniques
Sascha Klawohn, Hilke Bahmann, Martin Kaupp
Journal of Chemical Theory and Computation
|
June 7, 2018
MVO-10: A Gas-Phase Oxide Benchmark for Localization/Delocalization in Mixed-Valence Systems
Sascha Klawohn, Martin Kaupp, Amir Karton
Journal of Computational Chemistry
|
August 13, 2015
Electron transfer pathways in mixed-valence paracyclophane-bridged bis-triarylamine radical cations
Martin Kaupp, Simon Gückel, Manuel Renz, et al.
The Journal of Chemical Physics
|
November 6, 2023
Gaussian approximation potentials: Theory, software implementation and application examples
Sascha Klawohn, James P Darby, James R Kermode, et al.
Machine Learning: Science and Technology
|
October 6, 2025
32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery
Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
January 4, 2020
Self-Consistent Implementation of Hybrid Functionals with Local Range Separation
Sascha Klawohn, Hilke Bahmann
Journal of Chemical Theory and Computation
|
July 20, 2016
Implementation of Molecular Gradients for Local Hybrid Density Functionals Using Seminumerical Integration Techniques
Sascha Klawohn, Hilke Bahmann, Martin Kaupp
Journal of Chemical Theory and Computation
|
June 7, 2018
MVO-10: A Gas-Phase Oxide Benchmark for Localization/Delocalization in Mixed-Valence Systems
Sascha Klawohn, Martin Kaupp, Amir Karton
Journal of Computational Chemistry
|
August 13, 2015
Electron transfer pathways in mixed-valence paracyclophane-bridged bis-triarylamine radical cations
Martin Kaupp, Simon Gückel, Manuel Renz, et al.
The Journal of Chemical Physics
|
November 6, 2023
Gaussian approximation potentials: Theory, software implementation and application examples
Sascha Klawohn, James P Darby, James R Kermode, et al.
Machine Learning: Science and Technology
|
October 6, 2025
32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery
Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, et al.
Page
of 1