Nature of the transition structure for alkene epoxidation by peroxyformic acid, dioxirane, and dimethyldioxirane: A comparison of B3LYP density functional theory with higher computational levels

  1. Bach, R.D.
  2. Glukhovtsev, M.N.
  3. Gonzalez, C.
  4. Marquez, M.
  5. Estévez, C.M.
  6. Baboul, A.G.
  7. Schlegel, H.B.
Zeitschrift:
Journal of Physical Chemistry A

ISSN: 1089-5639

Datum der Publikation: 1997

Ausgabe: 101

Nummer: 34

Seiten: 6092-6100

Art: Rezension

DOI: 10.1021/JP970378S GOOGLE SCHOLAR