𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical Study of the Intramolecular Proton Transfer in the Tautomers of Cytosine Assisted by Water

✍ Scribed by Haitao Zheng; Dongxia Zhao; Zhongzhi Yang


Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
477 KB
Volume
29
Category
Article
ISSN
0256-7660

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Intramolecular proton transfer in monohy
✍ Leonid Gorb; Jerzy Leszczynski πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 285 KB πŸ‘ 2 views

The results of an ab initio post-Hartree᎐Fock study of the molecular structures, relative stabilities, and mechanisms of intermolecular proton transfer in isolated and monohydrated cytosine complexes are reported. The geometries of the local minima and transition states were optimized without symmet

Theoretical study of chain transfer in a
✍ Litvinenko, Galina I. ;Arest-Yakubovich, Alexander A. πŸ“‚ Article πŸ“… 1992 πŸ› Wiley (John Wiley & Sons) βš– 451 KB

## Abstract A new theoretical consideration of chain transfer to monomer in the anionic polymerization of hydrocarbon monomers is presented. It is shown that the kinetic scheme used in theoretical studies reported previously contradicts the widespread views on the chemical mechanism of carbanionic

A comparative AM1 and ab initio study of
✍ Uko Maran; Mati Karelson; Alan R. Katritzky πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 513 KB

The proton-transfer barriers along the intramolecular hydrogen bond in a series of substituted salicylaldehyde anils were calculated using the AM1 SCF semiempirical method. The reliability of this method for the calculation of proton-transfer barriers was analyzed by the comparison of AM1 barriers f

Ionization-Induced Proton Transfer in Mo
✍ Hsing-Yin Chen; Ito Chao πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 208 KB πŸ‘ 2 views

## Abstract __Proton‐transfer reactions of the radical anion and cation of the 7‐Azaindole (7AI) dimer were investigated by means of density functional theory (DFT). The calculated results for the dimer anion and cation were very similar. Three equilibrium structures, which correspond to the non‐pr

Theoretical characterization of intramol
✍ ForοΏ½s, Marta; Duran, Miquel; SolοΏ½, Miquel; Adamowicz, Ludwik πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 511 KB

Several theoretical methods are employed to characterize the intramolecular proton transfer in the ground state and in the lowest-lying 3 nΟ€ \* and 3 ππ \* excited states of 1-amino-3-propenal. The geometrical parameters, the relative energy of the two tautomeric forms, the energy barrier for the pr