Rotation spectrum of methyl alcohol

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Effect of methyl rotation on the electronic spectrum of the methyl peroxy radical.

Recent experiments have prompted a theoretical investigation of the effect of methyl rotation on the A-X electronic spectrum of the CH3O2 and CD3O2 radicals. Quantum chemistry calculations have mapped the potential for the methyl rotation. Using these results, we calculate the torsional eigenvalues for both the A and X states and simulate the A-X spectrum. We find that the simulation captures t...

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ژورنال

عنوان ژورنال: Journal of Molecular Spectroscopy

سال: 1959

ISSN: 0022-2852

DOI: 10.1016/0022-2852(59)90030-x