Vibrational analysis of the ubiquitous interstellar molecule cyclopropenylidene (c-C3H2): the importance of numerical stability
Author:
Affiliation:
1. Center for Computational Quantum Chemistry (CCQC), University of Georgia, Athens, GA, USA
2. Department of Chemistry & Biochemistry, University of Mississippi, University, MS, USA
3. NASA Ames Research Center, Moffett Field, CA, USA
Funder
U.S. Department of Energy
National Aeronautics and Space Administration
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2019.1589007
Reference36 articles.
1. An accurate ab initio quartic force field and vibrational frequencies for cyclopropenylidene
2. A HIGH-RESOLUTION ISOTOPIC STUDY OF THE ROTATIONAL SPECTRUM OF c -C 3 H 2
3. Widespread CCH and c-C 3 H 2 in the Helix Nebula: Unraveling the Chemical History of Hydrocarbons
4. A Study of the c-C3HD/c-C3H2 Ratio in Low-mass Star-forming Regions
5. The effect of approximating some molecular integrals in coupled-cluster calculations: fundamental frequencies and rovibrational spectroscopic constants for isotopologues of cyclopropenylidene
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1. Cyclopropenylidene: Clustering and Interaction with Water Molecules;The Journal of Physical Chemistry A;2022-08-23
2. Fundamental Vibrational Frequencies and Spectroscopic Constants of Substituted Cyclopropenylidene (c-C3HX, X = F, Cl, CN);The Journal of Physical Chemistry A;2021-10-05
3. Anharmonic fundamental vibrational frequencies and spectroscopic constants of the potential HSO2 radical astromolecule;The Journal of Chemical Physics;2021-09-21
4. Metal cyclopropenylidene sandwich cluster and nanowire: structural, electronic, and magnetic properties;Journal of Physics: Condensed Matter;2021-05-10
5. The unsolved issue with out-of-plane bending frequencies for C C multiply bonded systems;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2021-03
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