DIMETHYL ETHER THREE DIMENTIONAL SPECTRA
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Publisher:Ohio State University
The dimethyl ether is a non-rigid molecule with three internal motions: the two methyl rotations and the COC bending. This motions are studied using MP2 and CCSD(T) calculations using a aug-cc-pVTZ basis set and applying the ZPVE corrections. With these results the 3D spectra is calculated.
Author Institution: Departamento de Quimica. Universidad Autonoma Metropolitana, Av. San Rafael Atlixco 186, Col Vicentina, Iztapala, Mexico D.F. 09340, MEXICO; Departamento de Astrofisica Molecular e Infrarroja, Instituto de Estructura de la Materia, C.S.I.C., Serrano 113B, Madrid 28006, SPAIN
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