1,4-Dimethylenespiropentane: A Unique Model System for Studying Fermi Resonance in Raman Optical Activity

The C2‐symmetric title compound, a small, rigid hydrocarbon molecule with two distinct, strongly interacting vibrational chromophores, represents a unique model system for testing computational approaches to Raman optical activity (ROA) beyond the isolated molecule and the harmonic approximation. We...

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Veröffentlicht in:	Chemphyschem 2007-06, Vol.8 (8), p.1161-1169
Hauptverfasser:	Hug, Werner, Haesler, Jacques, Kozhushkov, Sergei I., de Meijere, Armin
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Fermi resonance Molecular properties and interactions with photons Molecular spectra Physics Raman and rayleigh spectra (including optical scattering) Raman spectroscopy solvent effects
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