Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries
By Jan Rezác, Kevin E. Riley, Pavel Hobza. 2011
225 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry, Physical and Theoretical Chemistry
View Paper: https://www.semanticscholar.org/paper/d9f59ee927359da37aefc2d870c2b603af710a53
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In Atomic and Molecular Physics, and Optics
- Olexandr Isayev
- Adrian E. Roitberg
- Christian Devereux
- B. Nebgen
- Justin S. Smith
- Roman I. Zubatyuk
- Kipton Barros
- Sergei Tretiak
In Organic Chemistry
In Physical and Theoretical Chemistry
- Adrian E. Roitberg
- Christian Devereux
- B. Nebgen
- Justin S. Smith
- Roman I. Zubatyuk
- Olexandr Isayev
- Kipton Barros
- Sergei Tretiak
Citations in the corpus
- Outsmarting Quantum Chemistry Through Transfer Learning (2018, methodology): “Add resulting data to the training dataset and retrain ANI model 10.”