The mechanism of permanganate-mediated dual C–H oxidation of complex diketopiperazines has been examined with density functional theory computations. The products of these oxidations are enabling int
The reaction of chloroacetaldehyde with adenine to form ethenoadenine has been modelled: this is a transition state structure at the 6-31G(d) level of theory using the wB97X-D functional. When chloroa
The Au(III) complex Au(tpy)(OAcF)2 (OAcF = OCOCF3; tpy = 2-(p-tolyl)pyridine) catalyzes the anti addition of trifluoroacetic acid (HOAcF) to acetylene to furnish vinyl trifluoroacetate. The Au(II
