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Semi-experimental equilibrium structure (reSE) of thiophene: Attempting to resolve the heavy-atom problem with 46 isotopologues

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Year: 2025
Type: article
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0292964
Authors: Brian J. Esselman, Madeleine G. Atwood, Ha Vinh Lam Nguyen, John F. Stanton, R. Claude Woods, Robert J. McMahon
Institutions: University of Wisconsin–Madison, Centre National de la Recherche Scientifique, Institut Universitaire de France, Université Paris-Est Créteil, Université Paris Cité, Laboratoire Interuniversitaire des Systèmes Atmosphériques, University of Florida
Language: English

Topic: Molecular Spectroscopy and Structure
Subfield: Spectroscopy
Field: Chemistry
Domain: Physical Sciences

Open Access status: closed

Funders: National Science Foundation, National Institutes of Health, HORIZON EUROPE European Research Council
Awards: Advances in Coupled Cluster Theory, Organic Chemistry in Harsh Reaction Environments, G6909230484, QExactive (Orbitrap) mass spectrometer
OpenAlex ID: W4414966215
FWCI: 1.767
Cites: 46
Cited by: 7
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