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Basis set dependence of SO stretching frequencies and its consequences for IR and VCD spectra predictions

Published Online: 2020

Authors

Scholten, Kevin

Engelage, Elric https://orcid.org/0000-0003-4640-6260
Merten, Christian https://orcid.org/0000-0002-4106-1905
Funding

Funding for this research was provided by:

Deutsche Forschungsgemeinschaft (GRK 2367, project no. 331085229, ME 4267/5-1, project no. 418661145)
License Information

Accepted Manuscript valid from 2021-11-23
More Information

SIMILARITY CHECK

: This document is Similarity Check deposited

RELATED DATA

: Supplementary Information

: Crystal Structure Data

IDENTIFIERS

: Elric Engelage (ORCID)

: Christian Merten (ORCID)

: Christian Merten (ResearcherID)

PEER REVIEW METHOD

: Single-blind

PUBLICATION HISTORY

: Received 15 October 2020; Accepted 23 November 2020; Accepted Manuscript published 23 November 2020; Advance Article published 8 December 2020; Version of Record published 23 December 2020

Document is current