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.
Revista:
Journal of Physical Chemistry A

ISSN: 1089-5639

Ano de publicación: 1997

Volume: 101

Número: 34

Páxinas: 6092-6100

Tipo: Revisión

DOI: 10.1021/JP970378S GOOGLE SCHOLAR