RT Journal Article
T1 New interpretation of proton and deuteron tunneling in 2'-methylacetophenone
A1 Fernández Ramos, Antonio
A1 Siebrand, Willem
A1 Smedarchina, Zorka
AB The enol–keto transition rate constants in 2′-methylacetophenone observed by Grellmann et al. are calculated from first principles. The results reinterpret the proposed mechanism and show that proton tunneling is preceded by dissociation of a substrate-solvent complex rather than by rotamer interconversion
PB Elsevier
SN 0009-2614
YR 2013
FD 2013-10-24
LK http://hdl.handle.net/10347/16883
UL http://hdl.handle.net/10347/16883
LA eng
NO Fernández-Ramos, A., Siebrand, W., & Smedarchina, Z. (2013). New interpretation of proton and deuteron tunneling in 2′-methylacetophenone. Chemical Physics Letters, 586, 61-66. doi: 10.1016/j.cplett.2013.09.020
NO This is the accepted manuscript of the following article: Fernández-Ramos, A., Siebrand, W., & Smedarchina, Z. (2013). New interpretation of proton and deuteron tunneling in 2'-methylacetophenone. Chemical Physics Letters, 586, 61-66. doi: 10.1016/j.cplett.2013.09.020
DS Minerva
RD 24 abr 2026