Data Set for Anisole-water and anisole-ammonia complexes in ground and excited (S1) states: a multiconfigurational SAPT study
Description
Funding: National Science Center of Poland, grants no. 2019/35/B/ST4/01310 and no. 2021/43/D/ST4/02762 European Centre of Excellence in Exascale Computing TREX - Targeting Real Chemical Accuracy at the Exascale. European Union’s Horizon 2020 - Research and Innovation program - grant agreement no. 952165. COST Action CA21101 ‘Confined molecular systems: from a new generation of materials to the stars’ (COSY) supported by COST (European Cooperation in Science and Technology).
Resources
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Description |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-12799514 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-12799514 |
Tags
- excited-states
- symmetry-adapted-perturbation-theory
- anisole