Data and geometries for "Insights into the electronic structure of liquid water using advanced ab initio charge transfer analysis"
Authors/Creators
- 1. Norwegian University of Science and Technology
- 2. Technical University of Denmark
- 3. Stockholm University
- 4. University of Zurich
Description
Geometries and raw data for the paper "Insights into the electronic structure of liquid water using advanced ab initio charge transfer analysis"
This work has received funding from the European Research Council (ERC)
under the European Union’s Horizon 2020 Research and Innovation Program
(grant agreement no. 101020016 and 860553), the Research Council of Norway through FRINATEK (project no. 275506), the Swedish Research Council (grant agreement no. 2021-04521), the Independent Research Fund Denmark--Natural Sciences, DFF-RP2 (grant no. 7014-00258B)
Computing resources from UNINETT Sigma2—the National Infrastructure for High Performance Computing
and Data Storage in Norway (project no. NN2962k),
from DeIC—Danish Infrastructure Cooperation (grant no. DeiC-DTU-N3-2023027), and from the Swiss National Supercomputing Centre (project ID uzh1).
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