Opening book details…
Can I read The mechanism of double proton transfer in dimers of uracil and 2-thiouracil—The reaction force perspective on EtoBox?
The mechanism of double proton transfer in dimers of uracil and 2-thiouracil—The reaction force perspective by Al Mokhtar Lamsabhi; Otilia Mó; Soledad Gutiérrez-Oliva; Patricia Pérez; Alejandro Toro-Labbé; Manuel Yáñez is a Chemistry article available to read on EtoBox.
What is The mechanism of double proton transfer in dimers of uracil and 2-thiouracil—The reaction force perspective about?
## Abstract The intermolecular double proton transfer in dimers of uracil and 2‐thiouracil is studied through density functional theory calculations. The reaction force framework provides the basis for characterizing the mechanism that in all cases has been associated to a dynamic balance between polarization and charge transfer effects. It has been found that the barriers for proton transfer depend upon the nature of the acceptor atoms and its position within the seminal monomer. Actually, the change in the nature of the hydrogen bonds connecting the two monomers along the reaction coordinate may favor or disfavor the double‐proton transfer. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2009
Who reads The mechanism of double proton transfer in dimers of uracil and 2-thiouracil—The reaction force perspective?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Al Mokhtar Lamsabhi; Otilia Mó; Soledad Gutiérrez-Oliva; Patricia Pérez; Alejandro Toro-Labbé; Manuel Yáñez
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0192-8651)
- Published
- 2008
- Language
- EN
- Field
- Chemistry (Physical Sciences)