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Can I read Tunneling Effect in Proton Transfer: Transfer Matrix Approach on EtoBox?
Tunneling Effect in Proton Transfer: Transfer Matrix Approach by Keisho Umesaki; Kei Odai is a Chemistry article available to read on EtoBox.
What is Tunneling Effect in Proton Transfer: Transfer Matrix Approach about?
The transfer matrix (TM) method was applied to calculate the transmission probability (TP) for proton transfer reactions. The tunneling factors in the reaction rate constants were also evaluated using the TPs. To test this method, TPs for the Eckart potentials modeled as a guanine−cytosine base pair were calculated by the TM method and compared to TPs by the analytical solution. As a result, the errors in the TPs by the TM method were quite small. The tunneling factors for the guanine− thymine (G-T) and adenine−cytosine (A-C) mispair reactions were then evaluated by the TM method. A shoulder appears on each potential for these reactions [Odai, K.; Umesaki,K. J. Phys. Chem. A. 2021, 125, 8196−8204]. As a result, the shoulder for the G-T mispair reaction contributes significantly to the tunneling, while the shoulder for the A-C mispair reaction contributes little to the tunneling. These results are difficult to obtain with methods such as Wigner's tunneling factor.
Who reads Tunneling Effect in Proton Transfer: Transfer Matrix Approach?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Keisho Umesaki; Kei Odai
- Publisher
- American Chemical Society (ACS)
- Published
- 2023
- Language
- EN
- Field
- Chemistry (Physical Sciences)