Evaluating the Importance of Conformers for Understanding the Vacuum-Ultraviolet Spectra of Oxiranes: Experiment and Theory

Vacuum-ultraviolet (VUV) absorption spectroscopy enables electronic transitions that offer the unambiguous identification of molecules. As target molecules become more complex, multifunctional species present a great challenge to both experimental and computational spectroscopy. This research report...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2024-12, Vol.128 (50), p.10906-10920
Hauptverfasser:	Beck, Ian T., Mitchell, Erica C., Hill, Annabelle Webb, Turney, Justin M., Rotavera, Brandon, Schaefer, Henry F.
Format:	Artikel
Sprache:	eng
Schlagworte:	A: New Tools and Methods in Experiment and Theory Absorption spectroscopy Computer simulations Ethers Mathematical methods Molecular structure
Online-Zugang:	Volltext
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