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Front Chem. 2021 Jan 06;8:623641. doi: 10.3389/fchem.2020.623641. eCollection 2020.

High-Level Rovibrational Calculations on Ketenimine.

Frontiers in chemistry

Martin Tschöpe, Benjamin Schröder, Sebastian Erfort, Guntram Rauhut

Affiliations

  1. Institute for Theoretical Chemistry, University of Stuttgart, Stuttgart, Germany.

PMID: 33585403 PMCID: PMC7873934 DOI: 10.3389/fchem.2020.623641

Abstract

From an astrochemical point of view ketenimine (CH

Copyright © 2021 Tschöpe, Schröder, Erfort and Rauhut.

Keywords: Fermi resonances; VSCF/VCI theory; ab initio calculations; ketenimine; rotational spectrum; rovibrational calculations

Conflict of interest statement

The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.

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