E-mail a Wiley Online Library Link

Zaki S. Safi and Gernot Frenking Protonation of 5-methylhydantoin and its thio derivatives in the gas phase: A theoretical study International Journal of Quantum Chemistry 113

Version of Record online: 24 JAN 2012 | DOI: 10.1002/qua.24017

Thumbnail image of graphical abstract

The systematic examination of the basicity of heterocyclic compounds helps understanding of the reaction mechanisms occurring in several biological systems, such as the tautomerisation process of 5-methylhydantoin and its thio derivatives. For that system, the energy decomposition analysis of the OH+ interactions suggests that the bonding interactions come mainly from the covalent bond formation, while the contribution of the Coulomb attraction is rather small.

Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf

Required = Required Field