Reference Label Details
Ruscic G3B3G3B3LYP calculation; B3LYP/6-31G(d) frequencies are scaled by 0.9614 (see Scott 1996)
Scott 1994A.P. Scott, R.H. Nobes, H.F. Schaefer III, and L. Radom, J. Am. Chem. Soc. 116, 10159-10164 (1994)
The Wolff Rearrangement: The Relevant Portion of the Oxirene-Ketene Potential Energy Hypersurface
Girard 2003Y. Girard and P. Chaquin, J. Phys. Chem. A 107, 10462-10470 (2003)
Addition Reactions of 1D and 3P Atomic Oxygen with Acetylene. Potential Energy Surfaces and Stability of the Primary Products. Is Oxirene Only a Triplet Molecule? A Theoretical Study