| Original language | English |
|---|---|
| Pages (from-to) | 11859-11868 |
| Number of pages | 10 |
| Journal | Chemical Science |
| Volume | 11 |
| Issue number | 43 |
| DOIs | |
| Publication status | Published - 21 Nov 2020 |
Funding
We acknowledge support by the European Research Council (ERC-CoG grant QML) as well as by the Swiss National Science Foundation (No. PP00P2_138932, 407540_167186 NFP 75 Big Data, 200021_175747, NCCR MARVEL). This work was supported by a grant from the Swiss National Supercomputing Centre (CSCS) under project ID s848. Some calculations were performed at sciCORE (http://scicore.unibas.ch/) scientific computing core facility at University of Basel.
Austrian Fields of Science 2012
- 104017 Physical chemistry
- 102019 Machine learning
Keywords
- NUCLEAR-MAGNETIC-RESONANCE
- SIGMA-CONSTANTS
- SUBSTITUENT CONSTANTS
- THEORETICAL CALCULATION
- IONIZATION-POTENTIALS
- COUPLING-CONSTANTS
- ELECTRON
- BENZENE
- VALUES
- PARAMETERS
Fingerprint
Dive into the research topics of 'Data enhanced Hammett-equation: reaction barriers in chemical space'. Together they form a unique fingerprint.Projects
- 1 Finished
-
QML: Quantum Machine Learning: Chemical Reactions with Unprecedented Speed and Accuracy
von Lilienfeld-Toal, O. A. (Project Lead)
1/10/20 → 31/03/22
Project: Research funding
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