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Erdi A. Bleda, Ilhan Yavuz, Zikri Altun and Carl Trindle Computational thermochemistry of glycolaldehyde International Journal of Quantum Chemistry 113

Version of Record online: 5 JUN 2012 | DOI: 10.1002/qua.24200

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Glycolaldehyde was recently detected in the interstellar medium. In a nonterrestrial setting the synthetic reaction of this species from formaldehyde and methanol is not expected to be at thermal equilibrium, leaving open the possibility that significant amounts of conformers other than the most stable form could also exist. The vibration-rotation spectra of four stable conformers of Glycolaldehyde and the six reaction paths connecting them are characterized in this work by high-level ab initio calculations.

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