Published November 13, 2020
| Version v1
Dataset
Open
Dataset for the "Harmonic Infrared and Raman Spectra in Molecular Environments using the Polarizable Embedding Model"
Authors/Creators
- 1. UiT The Arctic University of Norway
- 2. Aarhus University
Description
This dataset contains data connected to the article "Harmonic infrared and Raman spectra using a polarizable embedding model".
Notes
This work has received support from the Norwegian Supercomputing Program (NOTUR) through a grant of computer time (Grant No. NN4654K).
Financial support is acknowledged from the Research Council of Norway through its Centres of Excellence scheme (Grant No. 262695) and a research grant (Grant No. 250743).
M.R. acknowledges financial support from the Research Council of Norway and MSCA COFUND (Grant No. 274918).
J.M.H.O. acknowledges financial support from VILLUM FONDEN (Grant No. 29478).
Files
ace_MD.zip
Files
(24.3 GB)
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md5:e0f88d4b116c53b219158e59555b6ec5
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md5:00ebc8b116b940305413fa73edf94406
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md5:dfe745c2f626068367e17283158a7806
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md5:4a209a9a6668a590082afee3d636bcb7
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md5:d8130ede36966aa7bec410d48b6085ed
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md5:6afce75e90c24088273ed58ea03b5b12
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md5:e964ec3ccc5ae28120bf42556f2912c6
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714 Bytes | Preview Download |
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md5:af26ae4df4ba2e317669cbe63231cf53
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9.7 GB | Preview Download |